LEADER 06241nam 2200673 a 450 001 9910131045403321 005 20230725053038.0 010 $a1-283-17504-5 010 $a9786613175045 010 $a0-470-82831-5 010 $a0-470-82517-0 010 $a0-470-82518-9 035 $a(CKB)3460000000003402 035 $a(EBL)711821 035 $a(OCoLC)729726196 035 $a(SSID)ssj0000476999 035 $a(PQKBManifestationID)12141550 035 $a(PQKBTitleCode)TC0000476999 035 $a(PQKBWorkID)10502330 035 $a(PQKB)11752915 035 $a(MiAaPQ)EBC711821 035 $a(Au-PeEL)EBL711821 035 $a(CaPaEBR)ebr10484787 035 $a(CaONFJC)MIL317504 035 $a(EXLCZ)993460000000003402 100 $a20101203d2011 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aInterpretation of organic spectra$b[electronic resource] /$fby Yong-Cheng Ning 210 $aHoboken, N.J. $cWiley$d2011 215 $a1 online resource (426 p.) 300 $aDescription based upon print version of record. 311 $a0-470-82516-2 320 $aIncludes bibliographical references and index. 327 $aInterpretation of Organic Spectra; Contents; Foreword; Preface; 1 Interpretation of 1H NMR Spectra; 1.1 Chemical Shift; 1.1.1 Conception of Chemical Shift; 1.1.2 Factors Affecting Chemical Shifts; 1.2 Coupling Constant J; 1.2.1 Coupling Effect and Coupling Constant J; 1.2.2 Discussion of Coupling Constants According to their Kinds; 1.3 Chemical Equivalence and Magnetic Equivalence; 1.3.1 Chemical Equivalence; 1.3.2 Magnetic Equivalence; 1.3.3 Classification of 1H Spectra; 1.4 Characteristics of the 1H Spectra of Some Functional Groups; 1.4.1 Substituted Phenyl Ring 327 $a1.4.2 Substituted Heteroaromatic Ring1.4.3 Normal Long-chain Alkyl Group; 1.4.4 Carbonyl Compounds; 1.4.5 Reactive Hydrogen Atom; 1.4.6 Compounds Containing Fluorine or Phosphor Atoms; 1.5 Interpretation of 1H NMR Spectra; 1.5.1 Find Impurity Peaks, Pay Attention to the Solvent Applied; 1.5.2 Calculation of the Unsaturation Number of the Unknown Compound; 1.5.3 Determination of the Number of Hydrogen Atoms Corresponding to Every Peak Set in the 1H Spectrum; 1.5.4 Determination of Functional Groups of the Unknown Compound; 1.5.5 Analysis of Coupling Splittings of Peak Sets 327 $a1.5.6 Combination of Possible Structural Units1.5.7 Assignment of the 1H spectrum According to the Deduced Structure; 1.5.8 Checking of the Deduced Structure; 1.6 Examples of 1H Spectrum Interpretation; Reference; 2 Interpretation of 13C NMR Spectra; 2.1 Characteristics and Advantages of the 13C NMR Spectra; 2.2 The Main Parameter of the 13C Spectrum is the Chemical Shift; 2.3 Chemical Shift Values of Common Functional Groups and Main Factors Affecting Chemical Shift Values; 2.3.1 Alkanes and their Derivatives; 2.3.2 Cycloalkanes and their Derivatives; 2.3.3 Alkylenes and their Derivatives 327 $a2.3.4 Benzene and its Derivatives2.3.5 Carbonyl Groups; 2.4 Determination of the Carbon Atom Orders; 2.5 Steps for 13C NMR Spectrum Interpretation; 2.5.1 Recognizing Impurity Peaks and Identifying Solvent Peaks; 2.5.2 Calculation of the Unsaturation Number of the Unknown Compound; 2.5.3 Consideration of Chemical Shift Values of Peaks; 2.5.4 Determination of Carbon Atom Orders; 2.5.5 Postulation of Possible Functional Groups; 3 Interpretation of 2D NMR Spectra; 3.1 General Knowledge about 2D NMR Spectra; 3.2 Homonuclear Shift Correlation Spectroscopy, COSY (H, H-COSY) 327 $a3.3 Heteronuclear Shift Correlation Spectroscopy3.4 Long-Range Heteronuclear Shift Correlation Spectroscopy; 3.5 NOESY and ROESY; 3.6 Total Correlation Spectroscopy, TOCSY; References; 4 Interpretation of Mass Spectra; 4.1 Basic Knowledge of Organic Mass Spectrometry; 4.1.1 Mass Spectra; 4.1.2 Ionization in Organic Mass Spectrometry; 4.1.3 Ion Types in Organic Mass Spectrometry; 4.2 Isotopic Ion Clusters in Mass Spectra; 4.3 Interpretation of EI MS; 4.3.1 Determination of Molecular Ion Peak; 4.3.2 Interpretation of Fragment Ion Peaks; 4.3.3 Interpretation of Rearrangement Ion Peaks 327 $a4.3.4 Complex Cleavages of Alicyclic Compounds 330 $a"Although there are a number of books in this field, most of them lack an introduction of comprehensive analysis of MS and IR spectra, and others do not provide up-to-date information like tandem MS. This book fills the gap. The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1H spectra (Chapter 1), 13C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5). In each chapter the author presents very practical application skills by providing various challenging examples. The last chapter (Chapter 6) provides the strategy, skills and methods on how to identify an unknown compound through a combination of spectra. Based on nearly 40 years researching and teaching experience, the author also proposes some original and creative ideas, which are very practical for spectral interpretation"--$cProvided by publisher. 330 $a"The merit of this book is that the author will not only introduce knowledge for analyzing nuclear magnetic resonance spectra including 1H spectra (Chapter 1), 13C spectra (Chapter 2) and 2D NMR spectra (Chapter 3), he also arms readers systemically with knowledge of Mass spectra (including EI MS spectra and MS spectra by using soft ionizations) (Chapter 4) and IR spectra (Chapter 5)"--$cProvided by publisher. 606 $aSpectrum analysis 606 $aOrganic compounds$xAnalysis 615 0$aSpectrum analysis. 615 0$aOrganic compounds$xAnalysis. 676 $a543/.5 686 $aSCI078000$2bisacsh 700 $aNing$b Yong-Cheng$0518792 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910131045403321 996 $aInterpretation of organic spectra$91990761 997 $aUNINA