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This volume presents in the form of texts, tables, charts and graphs a modern compilation of spectroscopic reference data for IR, UV/Vis, 1H- and 13C-NMR, MS (incl. prototype spectra of almost every important class of organic compounds and spectra of MALDI and FAB matrix materials) and is intended as a short textbook and a hands-on guide for interpreting experimental spectral data and elucidating the chemical structure of the respective compound behind it. The concise texts include special chapters on fragmentation rules in mass spectrometry and on currently used multipulse and 2-D NMR techniques. The book is primarily designed for students to be used during courses and exercises. The use of the book requires only basic knowledge of spectroscopic techniques, but is structured in such a way that it will support practitioners routinely faced with the task of interpreting such spectral information, and it will serve as data reference for specialists in the fields.

Tabla de contenidos provista por Syndetics

• 1 Introduction(p. 1)
• 1.1 Scope and Organization(p. 1)
• 1.2 Abbreviations and Symbols(p. 3)
• 2 Summary Tables(p. 5)
• 2.1 General Tables(p. 5)
• 2.1.1 Calculation of the Number of Double Bond Equivalents from the Molecular Formula(p. 5)
• 2.1.2 Properties of Selected Nuclei(p. 6)
• 2.2 13 C NMR Spectroscopy(p. 7)
• 2.3 1 H NMR Spectroscopy(p. 10)
• 2.4 IR Spectroscopy(p. 13)
• 2.5 Mass Spectrometry(p. 18)
• 2.5.1 Average Masses of Naturally Occurring Elements with Exact Masses and Representative Relative Abundances of Isotopes(p. 18)
• 2.5.2 Ranges of Natural Isotope Abundances of Selected Elements(p. 24)
• 2.5.3 Isotope Patterns of Naturally Occurring Elements(p. 25)
• 2.5.4 Calculation of Isotope Distributions(p. 26)
• 2.5.5 Isotopic Abundances of Various Combinations of Chlorine, Bromine, Sulfur, and Silicon(p. 28)
• 2.5.6 Isotope Patterns of Combinations of CI and Br(p. 30)
• 2.5.7 Indicators of the Presence of Heteratoms(p. 31)
• 2.5.8 Rules for Determining the Relative Molecular Weight (Mr)(p. 33)
• 2.5.9 Homologous Mass Series as Indications of Structural Type(p. 34)
• 2.5.10 Mass Correlation Table(p. 36)
• 2.5.11 References(p. 46)
• 2.6 UV/Vis Spectroscopy(p. 47)
• 3 Combination Tables(p. 49)
• 3.1 Alkanes, Cycloalkanes(p. 49)
• 3.2 Alkenes, Cycloalkenes(p. 50)
• 3.3 Alkynes(p. 51)
• 3.4 Aromatic Hydrocarbons(p. 52)
• 3.5 Heteroaromatic Compounds(p. 53)
• 3.6 Halogen Compounds(p. 54)
• 3.7 Oxygen Compounds(p. 56)
• 3.7.1 Alcohols and Phenols(p. 56)
• 3.7.2 Ethers(p. 57)
• 3.8 Nitrogen Compounds(p. 59)
• 3.8.1 Amines(p. 59)
• 3.8.2 Nitro Compounds(p. 60)
• 3.9 Thiols and Sulfides(p. 62)
• 3.10 Carbonyl Compounds(p. 63)
• 3.10.1 Aldehydes(p. 63)
• 3.10.2 Ketones(p. 64)
• 3.10.3 Carboxylic Acids(p. 65)
• 3.10.4 Carboxylic Esters and Lactones(p. 66)
• 3.10.5 Carboxylic Amides and Lactams(p. 68)
• 4 13 C NMR Spectroscopy(p. 71)
• 4.1 Alkanes(p. 71)
• 4.1.1 Chemical Shifts(p. 71)
• 4.1.2 Coupling Constants(p. 80)
• 4.1.3 References(p. 81)
• 4.2 Alkenes(p. 82)
• 4.2.1 Chemical Shifts(p. 82)
• 4.2.2 Coupling Constants(p. 86)
• 4.2.3 References(p. 87)
• 4.3 Alkynes(p. 88)
• 4.3.1 Chemical Shifts(p. 88)
• 4.3.2 Coupling Constants(p. 89)
• 4.3.3 References(p. 89)
• 4.4 Alicyclics(p. 90)
• 4.4.1 Chemical Shifts(p. 90)
• 4.4.2 Coupling Constants(p. 95)
• 4.4.3 References(p. 95)
• 4.5 Aromatic Hydrocarbons(p. 96)
• 4.5.1 Chemical Shifts(p. 96)
• 4.5.2 Coupling Constants(p. 102)
• 4.5.3 References(p. 103)
• 4.6 Heteroaromatic Compounds(p. 104)
• 4.6.1 Chemical Shifts(p. 104)
• 4.6.2 Coupling Constants(p. 111)
• 4.7 Halogen Compounds(p. 112)
• 4.7.1 Fluoro Compounds(p. 112)
• 4.7.2 Chloro Compounds(p. 114)
• 4.7.3 Bromo Compounds(p. 115)
• 4.7.4 Iodo Compounds(p. 116)
• 4.7.5 References(p. 116)
• 4.8 Alcohols, Ethers, and Related Compounds(p. 117)
• 4.8.1 Alcohols(p. 117)
• 4.8.2 Ethers(p. 119)
• 4.9 Nitrogen Compounds(p. 121)
• 4.9.1 Amines(p. 121)
• 4.9.2 Nitro and Nitroso Compounds(p. 123)
• 4.9.3 Nitrosamines(p. 124)
• 4.9.4 Imines and Oximes(p. 124)
• 4.9.5 Hydrazones and Carbodiimides(p. 125)
• 4.9.6 Nitriles and Isonitriles(p. 126)
• 4.9.7 Isocyanates, Thiocyanates and Isothiocyanates(p. 127)
• 4.9.8 References(p. 127)
• 4.10 Sulfur-Containing Functional Groups(p. 128)
• 4.10.1 Thiols(p. 128)
• 4.10.2 Sulfides(p. 128)
• 4.10.3 Disulfides and Sulfonium Salts(p. 130)
• 4.10.4 Sulfoxides and Sulfones(p. 130)
• 4.10.5 Sulfonic and Sulfinic Acids and Derivatives(p. 131)
• 4.10.6 Sulfurous and Sulfuric Acid Derivatives(p. 131)
• 4.10.7 Sulfur-Containing Carbonyl Derivatives(p. 132)
• 4.11 Carbonyl Compounds(p. 133)
• 4.11.1 Aldehydes(p. 133)
• 4.11.2 Ketones(p. 134)
• 4.11.3 Carboxylic Acids and Carboxylates(p. 136)
• 4.11.4 Esters and Lactones(p. 138)
• 4.11.5 Amides and Lactams(p. 140)
• 4.11.6 Miscellaneous Carbonyl Derivatives(p. 142)
• 4.12 Miscellaneous Compounds(p. 144)
• 4.12.1 Derivatives of Group IV Elements(p. 144)
• 4.12.2 Phosphorus Compounds(p. 145)
• 4.12.3 Miscellaneous Organometallic Compounds(p. 147)
• 4.13 Natural Products(p. 148)
• 4.13.1 Amino Acids(p. 148)
• 4.13.2 Carbohydrates(p. 152)
• 4.13.3 Nucleotides and Nucleosides(p. 154)
• 4.13.4 Steroids(p. 156)
• 4.14 Spectra of Solvents and Reference Compounds(p. 157)
• 4.14.1 13 C NMR Spectra of Common Deuterated Solvents(p. 157)
• 4.14.2 13 C NMR Spectra of Secondary Reference Compounds(p. 159)
• 4.14.3 13 C NMR Spectrum of a Mixture of Common Nondeuterated Solvents(p. 160)
• 5 1 H NMR Spectroscopy(p. 161)
• 5.1 Alkanes(p. 161)
• 5.1.1 Chemical Shifts(p. 161)
• 5.1.2 Coupling Constants(p. 166)
• 5.1.3 References(p. 167)
• 5.2 Alkenes(p. 168)
• 5.2.1 Substituted Ethylenes(p. 168)
• 5.2.2 Dienes(p. 174)
• 5.3 Alkynes(p. 175)
• 5.3.1 Chemical Shifts and Coupling Constants(p. 175)
• 5.4 Alicyclics(p. 176)
• 5.5 Aromatic Hydrocarbons(p. 180)
• 5.6 Heteroaromatic Compounds(p. 186)
• 5.6.1 Non-Condensed Heteroaromatic Rings(p. 186)
• 5.6.2 Condensed Heteroaromatic Rings(p. 193)
• 5.7 Halogen Compounds(p. 198)
• 5.7.1 Fluoro Compounds(p. 198)
• 5.7.2 Chloro Compounds(p. 199)
• 5.7.3 Bromo Compounds(p. 200)
• 5.7.4 Iodo Compounds(p. 201)
• 5.8 Alcohols, Ethers, and Related Compounds(p. 202)
• 5.8.1 Alcohols(p. 202)
• 5.8.2 Ethers(p. 204)
• 5.9 Nitrogen Compounds(p. 207)
• 5.9.1 Amines(p. 207)
• 5.9.2 Nitro and Nitroso Compounds(p. 210)
• 5.9.3 Nitrosamines, Azo, and Azoxy Compounds(p. 210)
• 5.9.4 Imines, Oximes, Hydrazones, and Azines(p. 211)
• 5.9.5 Nitriles and Isonitriles(p. 212)
• 5.9.6 Cyanates, Isocyanates, Thiocyanates, and Isothiocyanates(p. 213)
• 5.10 Sulfur-Containing Functional Groups(p. 214)
• 5.10.1 Thiols(p. 214)
• 5.10.2 Sulfides(p. 215)
• 5.10.3 Disulfides and Sulfonium Salts(p. 216)
• 5.10.4 Sulfoxides and Sulfones(p. 216)
• 5.10.5 Sulfonic, Sulfinic, Sulfurous, and Sulfuric Acids and Derivatives(p. 217)
• 5.10.6 Thiocarboxylate Derivatives(p. 217)
• 5.11 Carbonyl Compounds(p. 218)
• 5.11.1 Aldehydes(p. 218)
• 5.11.2 Ketones(p. 219)
• 5.11.3 Carboxylie Acids and Carboxylates(p. 220)
• 5.11.4 Esters and Lactones(p. 221)
• 5.11.5 Amides and Lactams(p. 223)
• 5.11.6 Miscellaneous Carbonyl Derivatives(p. 226)
• 5.12 Miscellaneous Compounds(p. 228)
• 5.12.1 Silicon Compounds(p. 228)
• 5.12.2 Phosphorus Compounds(p. 229)
• 5.12.3 Miscellaneous Compounds(p. 232)
• 5.13 Natural Products(p. 233)
• 5.13.1 Amino Acids(p. 233)
• 5.13.2 Carbohydrates(p. 236)
• 5.13.3 Nucleotides and Nucleosides(p. 237)
• 5.13.4 References(p. 239)
• 5.14 Spectra of Solvents and Reference Compounds(p. 240)
• 5.14.1 1 H NMR Spectra of Common Deuterated Solvents(p. 240)
• 5.14.2 1 H NMR Spectra of Secondary Reference Compounds(p. 242)
• 5.14.3 1H NMR Spectrum of a Mixture of Common Nondeuterated Solvents(p. 243)
• 6 IR Spectroscopy(p. 245)
• 6.1 Alkanes(p. 245)
• 6.2 Alkenes(p. 248)
• 6.2.1 Monoenes(p. 248)
• 6.2.2 Allenes(p. 251)
• 6.3 Alkynes(p. 252)
• 6.4 Alicyclics(p. 253)
• 6.5 Aromatic Hydrocarbons(p. 255)
• 6.6 Heteroaromatic Compounds(p. 258)
• 6.7 Halogen Compounds(p. 260)
• 6.7.1 Fluoro Compounds(p. 260)
• 6.7.2 Chloro Compounds(p. 261)
• 6.7.3 Bromo Compounds(p. 262)
• 6.7.4 Iodo Compounds(p. 262)
• 6.8 Alcohols, Ethers, and Related Compounds(p. 263)
• 6.8.1 Alcohols and Phenols(p. 263)
• 6.8.2 Ethers, Acetals, Ketals(p. 264)
• 6.8.3 Epoxides(p. 266)
• 6.8.4 Peroxides and Hydroperoxides(p. 267)
• 6.9 Nitrogen Compounds(p. 268)
• 6.9.1 Amines and Related Compounds(p. 268)
• 6.9.2 Nitro and Nitroso Compounds(p. 270)
• 6.9.3 Imines and Oximes(p. 272)
• 6.9.4 Azo Compounds(p. 274)
• 6.9.5 Nitriles and Isonitriles(p. 275)
• 6.9.6 Diazo Compounds(p. 276)
• 6.9.7 Cyanates and Isocyanates(p. 277)
• 6.9.8 Thiocyanates and Isothiocyanates(p. 278)
• 6.10 Sulfur-Containing Functional Groups(p. 280)
• 6.10.1 Thiols and Sulfides(p. 280)
• 6.10.2 Sulfoxides and Sulfones(p. 281)
• 6.10.3 Thiocarbonyl Derivatives(p. 283)
• 6.10.4 Thiocarbonic Acid Derivatives(p. 283)
• 6.11 Carbonyl Compounds(p. 286)
• 6.11.1 Aldehydes(p. 286)
• 6.11.2 Ketones(p. 287)
• 6.11.3 Carboxylie Acids(p. 290)
• 6.11.4 Esters and Lactones(p. 292)
• 6.11.5 Amides and Lactames(p. 295)
• 6.11.6 Acid Anhydrides(p. 298)
• 6.11.7 Acid Halides(p. 300)
• 6.11.8 Carbonic Acid Derivatives(p. 301)
• 6.12 Miscellaneous Compounds(p. 304)
• 6.12.1 Silicon Compounds(p. 304)
• 6.12.2 Phosphorus Compounds(p. 305)
• 6.12.3 Boron Compounds(p. 308)
• 6.13 Amino Acids(p. 309)
• 6.14 Solvents, Suspension Media, and Interferences(p. 310)
• 6.14.1 Infrared Spectra of Common Solvents(p. 310)
• 6.14.2 Infrared Spectra of Suspension Media(p. 311)
• 6.14.3 Interferences in Infrared Spectra(p. 312)
• 7 Mass Spectrometry(p. 313)
• 7.1 Alkanes(p. 313)
• 7.1.1 Unbranched Alkanes(p. 313)
• 7.1.2 Branched Alkanes(p. 313)
• 7.1.3 References(p. 314)
• 7.2 Alkenes(p. 315)
• 7.2.1 Unbranched Alkenes(p. 15)
• 7.2.2 Branched Alkenes(p. 315)
• 7.2.3 Polyenes and Polyynes(p. 316)
• 7.2.4 References(p. 316)
• 7.3 Alkynes(p. 317)
• 7.3.1 Aliphatic Alkynes(p. 317)
• 7.3.2 References(p. 317)
• 7.4 Alicyclic Hydrocarbons(p. 318)
• 7.4.1 Cyclopropanes(p. 318)
• 7.4.2 Saturated Monocyclic Alicyclics(p. 319)
• 7.4.3 Polycyclic Alicyclics(p. 319)
• 7.4.4 Cyclohexenes(p. 319)
• 7.4.5 References(p. 320)
• 7.5 Aromatic Hydrocarbones(p. 321)
• 7.5.1 Aromatic Hydrocarbons(p. 321)
• 7.5.2 Alkylsubstituted Aromatic Hydrocarbons(p. 321)
• 7.5.3 References(p. 322)
• 7.6 Heteroaromatic Compounds(p. 323)
• 7.6.1 General Characteristics(p. 323)
• 7.6.2 Furans(p. 323)
• 7.6.3 Thiophenes(p. 323)
• 7.6.4 Pyrroles(p. 324)