Yong-Cheng Ning
Interpretation of Organic Spectra
Yong-Cheng Ning
Interpretation of Organic Spectra
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Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1 H spectra (Chapter 1), 13 C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra…mehr
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Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1 H spectra (Chapter 1), 13 C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5). In each chapter the author presents very practical application skills by providing various challenging examples. The last chapter (Chapter 6) provides the strategy, skills and methods on how to identify an unknown compound through a combination of spectra. Based on nearly 40 years researching and teaching experience, the author also proposes some original and creative ideas, which are very practical for spectral interpretation.
Produktdetails
- Produktdetails
- Verlag: Wiley & Sons
- Artikelnr. des Verlages: 14582516000
- 1. Auflage
- Seitenzahl: 416
- Erscheinungstermin: 20. Juni 2011
- Englisch
- Abmessung: 254mm x 174mm x 27mm
- Gewicht: 860g
- ISBN-13: 9780470825167
- ISBN-10: 0470825162
- Artikelnr.: 32808235
- Verlag: Wiley & Sons
- Artikelnr. des Verlages: 14582516000
- 1. Auflage
- Seitenzahl: 416
- Erscheinungstermin: 20. Juni 2011
- Englisch
- Abmessung: 254mm x 174mm x 27mm
- Gewicht: 860g
- ISBN-13: 9780470825167
- ISBN-10: 0470825162
- Artikelnr.: 32808235
Yong-Cheng Ning studied at the Engineering-Physics Department of Tsinghua University, Beijing, China where after his graduation he worked as a faculty member. From 1971 to 1978 he researched structural identification of organic compounds at the Institute of Chemical Engineering in Shenyang. Between 1981 and 1984 Yong-Chen Ning participated in research in NMR, MS, X-ray diffraction and alkaloid laboratories of the Institute of Chemistry of Natural Substances in Paris. Since 1993 he has been a full professor at the Tsinghua University. Yong-Chen Ning's books have won several awards, including the prize for excellent teaching materials, and are part of China's standard curriculum. His book Structural Identification of Organic Compounds with Spectroscopic Techniques (Chinese) was awarded the second-class prize for 'Excellent Teaching Materials' in 1992 and "Excellent Textbook for Graduate Students" in 2003 by the Ministry of Education of China.
Foreword ix Preface xi 1 Interpretation of 1H NMR spectra 1 1.1 Chemical
shift 3 1.1.1 Conception of chemical shift 3 1.1.2 Factors affecting
chemical shifts 3 1.2 Coupling constant J 7 1.2.1 Coupling effect and
coupling constant J 7 1.2.2 Discussion of coupling constants according to
their kinds 8 1.3 Chemical equivalence and magnetic equivalence 11 1.3.1
Chemical equivalence 13 1.3.2 Magnetic equivalence 17 1.3.3 Classification
of 1H spectra 18 1.4 Characteristics of the 1H spectra of some functional
groups 19 1.4.1 Substituted phenyl ring 19 1.4.2 Substituted heteroaromatic
ring 21 1.4.3 Normal long-chain alkyl group 21 1.4.4 Carbonyl compounds 21
1.4.5 Reactive hydrogen atom 22 1.4.6 Compounds containing fluorine or
phosphor atoms 23 1.5 Interpretation of 1H NMR spectra 23 1.5.1 Find
impurity peaks, pay attention to the solvent applied 24 1.5.2 Calculation
of the unsaturation number of the unknown compound 24 1.5.3 Determination
of the number of hydrogen atoms corresponding to every peak set in the 1H
spectrum 25 1.5.4 Determination of functional groups of the unknown
compound 26 1.5.5 Analysis of coupling splittings of peak sets 26 1.5.6
Combination of possible structural units 27 1.5.7 Assignment of the 1H
spectrum according to the deduced structure 28 1.5.8 Checking of the
deduced structure 28 1.6 Examples of 1H spectrum interpretation 29
Reference 38 2 Interpretation of 13C NMR spectra 39 2.1 Characteristics and
advantages of the 13C NMR spectra 39 2.2 The main parameter of the 13C
spectrum is the chemical shift 41 2.3 Chemical shift values of common
functional groups and main factors affecting chemical shift values 42 2.3.1
Alkanes and their derivatives 43 2.3.2 Cycloalkanes and their derivatives
45 2.3.3 Alkylenes and their derivatives 45 2.3.4 Benzene and its
derivatives 46 2.3.5 Carbonyl groups 47 2.4 Determination of the carbon
atom orders 47 2.5 Steps for 13C NMR spectrum interpretation 48 2.5.1
Recognizing impurity peaks and identifying solvent peaks 49 2.5.2
Calculation of the unsaturation number of the unknown compound 50 2.5.3
Consideration of chemical shift values of peaks 50 2.5.4 Determination of
carbon atom orders 51 2.5.5 Postulation of possible functional groups 51 3
Interpretation of 2D NMR spectra 53 3.1 General knowledge about 2D NMR
spectra 53 3.2 Homonuclear shift correlation spectroscopy, COSY (H, H-COSY)
54 3.3 Heteronuclear shift correlation spectroscopy 68 3.4 Long-range
heteronuclear shift correlation spectroscopy 75 3.5 NOESY and ROESY 79 3.6
Total correlation spectroscopy, TOCSY 84 References 85 4 Interpretation of
mass spectra 87 4.1 Basic knowledge of organic mass spectrometry 87 4.1.1
Mass spectra 87 4.1.2 Ionization in organic mass spectrometry 87 4.1.3 Ion
types in organic mass spectrometry 88 4.2 Isotopic ion clusters in mass
spectra 89 4.3 Interpretation of EI MS 91 4.3.1 Determination of molecular
ion peak 91 4.3.2 Interpretation of fragment ion peaks 93 4.3.3
Interpretation of rearrangement ion peaks 98 4.3.4 Complex cleavages of
alicyclic compounds 100 4.3.5 Mass spectrum patterns of common functional
groups 102 4.3.6 Interpretation of the EI mass spectrum and examples 107
4.4 Interpretation of the mass spectra from soft ionization 115 4.4.1 Mass
spectra from ESI (electrospray ionization) 115 4.4.2 Mass spectra from CI
117 4.4.3 Mass spectra from FAB 118 4.4.4 Mass spectra from MALDI 119 4.4.5
Mass spectra from APCI 120 4.4.6 Examples of the interpretation of mass
spectra from soft ionization 120 4.5 Interpretation of high resolution mass
spectra 123 4.6 Interpretation of mass spectra from tandem mass
spectrometry 126 References 127 5 Interpretation of infrared spectra 129
5.1 Elementary knowledge of infrared spectroscopy 129 5.1.1 Infrared
spectrum 129 5.1.2 Two regions of the infrared spectrum 130 5.2
Characteristic absorption frequencies of functional groups 130 5.2.1
Elemental equation of IR spectroscopy 130 5.2.2 Factors affecting
absorption frequencies 130 5.2.3 Characteristic frequencies of common
functional groups 132 5.3 Discussion on the IR spectrum according to
regions 132 5.3.1 Functional group region 133 5.3.2 Fingerprint region 135
5.4 Interpretation of IR spectra according to regions 135 5.5
Interpretation of IR spectra 139 5.5.1 Key points for the interpretation of
IR spectra 139 5.5.2 Steps for the interpretation of an IR spectrum 140
5.5.3 Searching standard IR spectra from IR spectrum collections or
websites 140 5.5.4 Examples of interpreting IR spectra 141 6 Identification
of unknown compounds or confirmation of structures through comprehensive
interpretation of spectra 147 6.1 Commonly used method and steps 148 6.1.1
1H spectrum 148 6.1.2 13C spectrum 149 6.1.3 DEPT spectrum 149 6.1.4 COSY
spectrum 149 6.1.5 HMQC (or HSQC) spectrum 150 6.1.6 HMBC spectrum 150 6.2
Examples for the deduction of the structure of an unknown compound or for
the confirmation of an anticipated structure 150 Reference 408 List of
abbreviations 409 Index 411
shift 3 1.1.1 Conception of chemical shift 3 1.1.2 Factors affecting
chemical shifts 3 1.2 Coupling constant J 7 1.2.1 Coupling effect and
coupling constant J 7 1.2.2 Discussion of coupling constants according to
their kinds 8 1.3 Chemical equivalence and magnetic equivalence 11 1.3.1
Chemical equivalence 13 1.3.2 Magnetic equivalence 17 1.3.3 Classification
of 1H spectra 18 1.4 Characteristics of the 1H spectra of some functional
groups 19 1.4.1 Substituted phenyl ring 19 1.4.2 Substituted heteroaromatic
ring 21 1.4.3 Normal long-chain alkyl group 21 1.4.4 Carbonyl compounds 21
1.4.5 Reactive hydrogen atom 22 1.4.6 Compounds containing fluorine or
phosphor atoms 23 1.5 Interpretation of 1H NMR spectra 23 1.5.1 Find
impurity peaks, pay attention to the solvent applied 24 1.5.2 Calculation
of the unsaturation number of the unknown compound 24 1.5.3 Determination
of the number of hydrogen atoms corresponding to every peak set in the 1H
spectrum 25 1.5.4 Determination of functional groups of the unknown
compound 26 1.5.5 Analysis of coupling splittings of peak sets 26 1.5.6
Combination of possible structural units 27 1.5.7 Assignment of the 1H
spectrum according to the deduced structure 28 1.5.8 Checking of the
deduced structure 28 1.6 Examples of 1H spectrum interpretation 29
Reference 38 2 Interpretation of 13C NMR spectra 39 2.1 Characteristics and
advantages of the 13C NMR spectra 39 2.2 The main parameter of the 13C
spectrum is the chemical shift 41 2.3 Chemical shift values of common
functional groups and main factors affecting chemical shift values 42 2.3.1
Alkanes and their derivatives 43 2.3.2 Cycloalkanes and their derivatives
45 2.3.3 Alkylenes and their derivatives 45 2.3.4 Benzene and its
derivatives 46 2.3.5 Carbonyl groups 47 2.4 Determination of the carbon
atom orders 47 2.5 Steps for 13C NMR spectrum interpretation 48 2.5.1
Recognizing impurity peaks and identifying solvent peaks 49 2.5.2
Calculation of the unsaturation number of the unknown compound 50 2.5.3
Consideration of chemical shift values of peaks 50 2.5.4 Determination of
carbon atom orders 51 2.5.5 Postulation of possible functional groups 51 3
Interpretation of 2D NMR spectra 53 3.1 General knowledge about 2D NMR
spectra 53 3.2 Homonuclear shift correlation spectroscopy, COSY (H, H-COSY)
54 3.3 Heteronuclear shift correlation spectroscopy 68 3.4 Long-range
heteronuclear shift correlation spectroscopy 75 3.5 NOESY and ROESY 79 3.6
Total correlation spectroscopy, TOCSY 84 References 85 4 Interpretation of
mass spectra 87 4.1 Basic knowledge of organic mass spectrometry 87 4.1.1
Mass spectra 87 4.1.2 Ionization in organic mass spectrometry 87 4.1.3 Ion
types in organic mass spectrometry 88 4.2 Isotopic ion clusters in mass
spectra 89 4.3 Interpretation of EI MS 91 4.3.1 Determination of molecular
ion peak 91 4.3.2 Interpretation of fragment ion peaks 93 4.3.3
Interpretation of rearrangement ion peaks 98 4.3.4 Complex cleavages of
alicyclic compounds 100 4.3.5 Mass spectrum patterns of common functional
groups 102 4.3.6 Interpretation of the EI mass spectrum and examples 107
4.4 Interpretation of the mass spectra from soft ionization 115 4.4.1 Mass
spectra from ESI (electrospray ionization) 115 4.4.2 Mass spectra from CI
117 4.4.3 Mass spectra from FAB 118 4.4.4 Mass spectra from MALDI 119 4.4.5
Mass spectra from APCI 120 4.4.6 Examples of the interpretation of mass
spectra from soft ionization 120 4.5 Interpretation of high resolution mass
spectra 123 4.6 Interpretation of mass spectra from tandem mass
spectrometry 126 References 127 5 Interpretation of infrared spectra 129
5.1 Elementary knowledge of infrared spectroscopy 129 5.1.1 Infrared
spectrum 129 5.1.2 Two regions of the infrared spectrum 130 5.2
Characteristic absorption frequencies of functional groups 130 5.2.1
Elemental equation of IR spectroscopy 130 5.2.2 Factors affecting
absorption frequencies 130 5.2.3 Characteristic frequencies of common
functional groups 132 5.3 Discussion on the IR spectrum according to
regions 132 5.3.1 Functional group region 133 5.3.2 Fingerprint region 135
5.4 Interpretation of IR spectra according to regions 135 5.5
Interpretation of IR spectra 139 5.5.1 Key points for the interpretation of
IR spectra 139 5.5.2 Steps for the interpretation of an IR spectrum 140
5.5.3 Searching standard IR spectra from IR spectrum collections or
websites 140 5.5.4 Examples of interpreting IR spectra 141 6 Identification
of unknown compounds or confirmation of structures through comprehensive
interpretation of spectra 147 6.1 Commonly used method and steps 148 6.1.1
1H spectrum 148 6.1.2 13C spectrum 149 6.1.3 DEPT spectrum 149 6.1.4 COSY
spectrum 149 6.1.5 HMQC (or HSQC) spectrum 150 6.1.6 HMBC spectrum 150 6.2
Examples for the deduction of the structure of an unknown compound or for
the confirmation of an anticipated structure 150 Reference 408 List of
abbreviations 409 Index 411
Foreword ix Preface xi 1 Interpretation of 1H NMR spectra 1 1.1 Chemical
shift 3 1.1.1 Conception of chemical shift 3 1.1.2 Factors affecting
chemical shifts 3 1.2 Coupling constant J 7 1.2.1 Coupling effect and
coupling constant J 7 1.2.2 Discussion of coupling constants according to
their kinds 8 1.3 Chemical equivalence and magnetic equivalence 11 1.3.1
Chemical equivalence 13 1.3.2 Magnetic equivalence 17 1.3.3 Classification
of 1H spectra 18 1.4 Characteristics of the 1H spectra of some functional
groups 19 1.4.1 Substituted phenyl ring 19 1.4.2 Substituted heteroaromatic
ring 21 1.4.3 Normal long-chain alkyl group 21 1.4.4 Carbonyl compounds 21
1.4.5 Reactive hydrogen atom 22 1.4.6 Compounds containing fluorine or
phosphor atoms 23 1.5 Interpretation of 1H NMR spectra 23 1.5.1 Find
impurity peaks, pay attention to the solvent applied 24 1.5.2 Calculation
of the unsaturation number of the unknown compound 24 1.5.3 Determination
of the number of hydrogen atoms corresponding to every peak set in the 1H
spectrum 25 1.5.4 Determination of functional groups of the unknown
compound 26 1.5.5 Analysis of coupling splittings of peak sets 26 1.5.6
Combination of possible structural units 27 1.5.7 Assignment of the 1H
spectrum according to the deduced structure 28 1.5.8 Checking of the
deduced structure 28 1.6 Examples of 1H spectrum interpretation 29
Reference 38 2 Interpretation of 13C NMR spectra 39 2.1 Characteristics and
advantages of the 13C NMR spectra 39 2.2 The main parameter of the 13C
spectrum is the chemical shift 41 2.3 Chemical shift values of common
functional groups and main factors affecting chemical shift values 42 2.3.1
Alkanes and their derivatives 43 2.3.2 Cycloalkanes and their derivatives
45 2.3.3 Alkylenes and their derivatives 45 2.3.4 Benzene and its
derivatives 46 2.3.5 Carbonyl groups 47 2.4 Determination of the carbon
atom orders 47 2.5 Steps for 13C NMR spectrum interpretation 48 2.5.1
Recognizing impurity peaks and identifying solvent peaks 49 2.5.2
Calculation of the unsaturation number of the unknown compound 50 2.5.3
Consideration of chemical shift values of peaks 50 2.5.4 Determination of
carbon atom orders 51 2.5.5 Postulation of possible functional groups 51 3
Interpretation of 2D NMR spectra 53 3.1 General knowledge about 2D NMR
spectra 53 3.2 Homonuclear shift correlation spectroscopy, COSY (H, H-COSY)
54 3.3 Heteronuclear shift correlation spectroscopy 68 3.4 Long-range
heteronuclear shift correlation spectroscopy 75 3.5 NOESY and ROESY 79 3.6
Total correlation spectroscopy, TOCSY 84 References 85 4 Interpretation of
mass spectra 87 4.1 Basic knowledge of organic mass spectrometry 87 4.1.1
Mass spectra 87 4.1.2 Ionization in organic mass spectrometry 87 4.1.3 Ion
types in organic mass spectrometry 88 4.2 Isotopic ion clusters in mass
spectra 89 4.3 Interpretation of EI MS 91 4.3.1 Determination of molecular
ion peak 91 4.3.2 Interpretation of fragment ion peaks 93 4.3.3
Interpretation of rearrangement ion peaks 98 4.3.4 Complex cleavages of
alicyclic compounds 100 4.3.5 Mass spectrum patterns of common functional
groups 102 4.3.6 Interpretation of the EI mass spectrum and examples 107
4.4 Interpretation of the mass spectra from soft ionization 115 4.4.1 Mass
spectra from ESI (electrospray ionization) 115 4.4.2 Mass spectra from CI
117 4.4.3 Mass spectra from FAB 118 4.4.4 Mass spectra from MALDI 119 4.4.5
Mass spectra from APCI 120 4.4.6 Examples of the interpretation of mass
spectra from soft ionization 120 4.5 Interpretation of high resolution mass
spectra 123 4.6 Interpretation of mass spectra from tandem mass
spectrometry 126 References 127 5 Interpretation of infrared spectra 129
5.1 Elementary knowledge of infrared spectroscopy 129 5.1.1 Infrared
spectrum 129 5.1.2 Two regions of the infrared spectrum 130 5.2
Characteristic absorption frequencies of functional groups 130 5.2.1
Elemental equation of IR spectroscopy 130 5.2.2 Factors affecting
absorption frequencies 130 5.2.3 Characteristic frequencies of common
functional groups 132 5.3 Discussion on the IR spectrum according to
regions 132 5.3.1 Functional group region 133 5.3.2 Fingerprint region 135
5.4 Interpretation of IR spectra according to regions 135 5.5
Interpretation of IR spectra 139 5.5.1 Key points for the interpretation of
IR spectra 139 5.5.2 Steps for the interpretation of an IR spectrum 140
5.5.3 Searching standard IR spectra from IR spectrum collections or
websites 140 5.5.4 Examples of interpreting IR spectra 141 6 Identification
of unknown compounds or confirmation of structures through comprehensive
interpretation of spectra 147 6.1 Commonly used method and steps 148 6.1.1
1H spectrum 148 6.1.2 13C spectrum 149 6.1.3 DEPT spectrum 149 6.1.4 COSY
spectrum 149 6.1.5 HMQC (or HSQC) spectrum 150 6.1.6 HMBC spectrum 150 6.2
Examples for the deduction of the structure of an unknown compound or for
the confirmation of an anticipated structure 150 Reference 408 List of
abbreviations 409 Index 411
shift 3 1.1.1 Conception of chemical shift 3 1.1.2 Factors affecting
chemical shifts 3 1.2 Coupling constant J 7 1.2.1 Coupling effect and
coupling constant J 7 1.2.2 Discussion of coupling constants according to
their kinds 8 1.3 Chemical equivalence and magnetic equivalence 11 1.3.1
Chemical equivalence 13 1.3.2 Magnetic equivalence 17 1.3.3 Classification
of 1H spectra 18 1.4 Characteristics of the 1H spectra of some functional
groups 19 1.4.1 Substituted phenyl ring 19 1.4.2 Substituted heteroaromatic
ring 21 1.4.3 Normal long-chain alkyl group 21 1.4.4 Carbonyl compounds 21
1.4.5 Reactive hydrogen atom 22 1.4.6 Compounds containing fluorine or
phosphor atoms 23 1.5 Interpretation of 1H NMR spectra 23 1.5.1 Find
impurity peaks, pay attention to the solvent applied 24 1.5.2 Calculation
of the unsaturation number of the unknown compound 24 1.5.3 Determination
of the number of hydrogen atoms corresponding to every peak set in the 1H
spectrum 25 1.5.4 Determination of functional groups of the unknown
compound 26 1.5.5 Analysis of coupling splittings of peak sets 26 1.5.6
Combination of possible structural units 27 1.5.7 Assignment of the 1H
spectrum according to the deduced structure 28 1.5.8 Checking of the
deduced structure 28 1.6 Examples of 1H spectrum interpretation 29
Reference 38 2 Interpretation of 13C NMR spectra 39 2.1 Characteristics and
advantages of the 13C NMR spectra 39 2.2 The main parameter of the 13C
spectrum is the chemical shift 41 2.3 Chemical shift values of common
functional groups and main factors affecting chemical shift values 42 2.3.1
Alkanes and their derivatives 43 2.3.2 Cycloalkanes and their derivatives
45 2.3.3 Alkylenes and their derivatives 45 2.3.4 Benzene and its
derivatives 46 2.3.5 Carbonyl groups 47 2.4 Determination of the carbon
atom orders 47 2.5 Steps for 13C NMR spectrum interpretation 48 2.5.1
Recognizing impurity peaks and identifying solvent peaks 49 2.5.2
Calculation of the unsaturation number of the unknown compound 50 2.5.3
Consideration of chemical shift values of peaks 50 2.5.4 Determination of
carbon atom orders 51 2.5.5 Postulation of possible functional groups 51 3
Interpretation of 2D NMR spectra 53 3.1 General knowledge about 2D NMR
spectra 53 3.2 Homonuclear shift correlation spectroscopy, COSY (H, H-COSY)
54 3.3 Heteronuclear shift correlation spectroscopy 68 3.4 Long-range
heteronuclear shift correlation spectroscopy 75 3.5 NOESY and ROESY 79 3.6
Total correlation spectroscopy, TOCSY 84 References 85 4 Interpretation of
mass spectra 87 4.1 Basic knowledge of organic mass spectrometry 87 4.1.1
Mass spectra 87 4.1.2 Ionization in organic mass spectrometry 87 4.1.3 Ion
types in organic mass spectrometry 88 4.2 Isotopic ion clusters in mass
spectra 89 4.3 Interpretation of EI MS 91 4.3.1 Determination of molecular
ion peak 91 4.3.2 Interpretation of fragment ion peaks 93 4.3.3
Interpretation of rearrangement ion peaks 98 4.3.4 Complex cleavages of
alicyclic compounds 100 4.3.5 Mass spectrum patterns of common functional
groups 102 4.3.6 Interpretation of the EI mass spectrum and examples 107
4.4 Interpretation of the mass spectra from soft ionization 115 4.4.1 Mass
spectra from ESI (electrospray ionization) 115 4.4.2 Mass spectra from CI
117 4.4.3 Mass spectra from FAB 118 4.4.4 Mass spectra from MALDI 119 4.4.5
Mass spectra from APCI 120 4.4.6 Examples of the interpretation of mass
spectra from soft ionization 120 4.5 Interpretation of high resolution mass
spectra 123 4.6 Interpretation of mass spectra from tandem mass
spectrometry 126 References 127 5 Interpretation of infrared spectra 129
5.1 Elementary knowledge of infrared spectroscopy 129 5.1.1 Infrared
spectrum 129 5.1.2 Two regions of the infrared spectrum 130 5.2
Characteristic absorption frequencies of functional groups 130 5.2.1
Elemental equation of IR spectroscopy 130 5.2.2 Factors affecting
absorption frequencies 130 5.2.3 Characteristic frequencies of common
functional groups 132 5.3 Discussion on the IR spectrum according to
regions 132 5.3.1 Functional group region 133 5.3.2 Fingerprint region 135
5.4 Interpretation of IR spectra according to regions 135 5.5
Interpretation of IR spectra 139 5.5.1 Key points for the interpretation of
IR spectra 139 5.5.2 Steps for the interpretation of an IR spectrum 140
5.5.3 Searching standard IR spectra from IR spectrum collections or
websites 140 5.5.4 Examples of interpreting IR spectra 141 6 Identification
of unknown compounds or confirmation of structures through comprehensive
interpretation of spectra 147 6.1 Commonly used method and steps 148 6.1.1
1H spectrum 148 6.1.2 13C spectrum 149 6.1.3 DEPT spectrum 149 6.1.4 COSY
spectrum 149 6.1.5 HMQC (or HSQC) spectrum 150 6.1.6 HMBC spectrum 150 6.2
Examples for the deduction of the structure of an unknown compound or for
the confirmation of an anticipated structure 150 Reference 408 List of
abbreviations 409 Index 411