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Structure Determination of Organic Compounds : Tables of Spectral Data,9783540938095
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Structure Determination of Organic Compounds : Tables of Spectral Data

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This fourth edition of the highly successful and concise textbook contains about 20 % new data. Now included are chapters on 19F and 31P NMR as well as references to important Raman bands. With their unique approach of presenting - in the form of texts, tables, charts, and graphs - a succinct compilation of essential reference data for the interpretation of NMR, IR, UV/Vis, and mass spectra, the authors also provide a hands-on guide for interpreting experimental spectral data and elucidating the structure of the respective compounds behind them.Besides spectra of common solvents, calibration reagents, and MALDI and FAB MS matrix materials, fragmentation rules for mass spectrometry and UV/Vis spectra of representative compounds are included. The book will benefit students during courses and exercises, and advanced learners may use it to supplement their understanding of extended textbooks on the topic. While only a basic knowledge of spectroscopic techniques is required to use this book, it will serve as a data reference for specialists in the field and will support practitioners routinely faced with the task of interpreting spectral information.From a review of the previous edition:"Practically all teachers in spectroscopy and countless students know these books and work continuously with them." (Magnetic Resonance in Chemistry, 2002, Vol. 40, Issue 3, p. 247)

Table of Contents

Introductionp. 1
Scope and Organizationp. 1
Abbreviations and Symbolsp. 3
Summary Tablesp. 5
General Tablesp. 5
Calculation of the Number of Double Bond Equivalents from the Molecular Formulap. 5
Properties of Selected Nucleip. 6
13C NMR Spectroscopyp. 7
1H NMR Spectroscopyp. 10
IR Spectroscopyp. 13
Mass Spectrometryp. 18
Average Masses of Naturally Occurring Elements with Masses and Representative Relative Abundances of Isotopesp. 18
Ranges of Natural Isotope Abundances of Selected Elementsp. 25
Isotope Patterns of Naturally Occurring Elementsp. 26
Calculation of Isotope Distributionsp. 27
Isotopic Abundances of Various Combinations of Chlorine, Bromine, Sulfur, and Siliconp. 29
Isotope Patterns of Combinations of Cl and Brp. 31
Indicators of the Presence of Heteroatomsp. 32
Rules for Determining the Relative Molecular Weight (Mr)p. 34
Homologous Mass Series as Indications of Structural Typep. 35
Mass Correlation Tablep. 37
Referencesp. 45
UV/Vis Spectroscopyp. 46
Combination Tablesp. 49
Alkanes, Cycloalkanesp. 49
Alkenes, Cycloalkenesp. 50
Alkynesp. 51
Aromatic Hydrocarbonsp. 52
Heteroaromatic Compoundsp. 53
Halogen Compoundsp. 54
Oxygen Compoundsp. 56
Alcohols and Phenolsp. 56
Ethersp. 57
Nitrogen Compoundsp. 59
Aminesp. 59
Nitro Compoundsp. 60
Thiols and Sulfidesp. 61
Carbonyl Compoundsp. 62
Aldehydesp. 62
Ketonesp. 63
Carboxylic Acidsp. 64
Esters and Lactonesp. 65
Amides and Lactamsp. 67
13C NMR Spectroscopyp. 69
Alkanesp. 69
Chemical Shiftsp. 69
Coupling Constantsp. 78
Referencesp. 79
Alkenesp. 80
Chemical Shiftsp. 80
Coupling Constantsp. 84
Referencesp. 84
Alkynesp. 85
Chemical Shiftsp. 85
Coupling Constantsp. 85
Referencesp. 86
Alicyclicsp. 87
Chemical Shiftsp. 87
Coupling Constantsp. 92
Aromatic Hydrocarbonsp. 93
Chemical Shiftsp. 93
Coupling Constantsp. 100
Referencesp. 100
Heteroaromatic Compoundsp. 101
Chemical Shiftsp. 101
Coupling Constantsp. 108
Halogen Compoundsp. 109
Fluoro Compoundsp. 109
Chloro Compoundsp. 111
Bromo Compoundsp. 112
Iodo Compoundsp. 113
Referencesp. 113
Alcohols, Ethers, and Related Compoundsp. 114
Alcoholsp. 114
Ethersp. 115
Nitrogen Compoundsp. 117
Aminesp. 117
Nitro and Nitroso Compoundsp. 119
Nitrosamines and Nitraminesp. 120
Azo and Azoxy Compoundsp. 120
Imines and Oximesp. 120
Hydrazones and Carbodiimidesp. 121
Nitriles and Isonitrilesp. 122
Isocyanates, Thiocyanates, and Isothiocyanatesp. 122
Sulfur Compoundsp. 123
Thiolsp. 123
Sulfidesp. 123
Disulfides and Sulfonium Saltsp. 124
Sulfoxides and Sulfonesp. 125
Sulfonic and Sulfinic Acids and Derivativesp. 126
Sulfurous and Sulfuric Acid Derivativesp. 126
Sulfur-Containing Carbonyl Derivativesp. 127
Carbonyl Compoundsp. 128
Aldehydesp. 128
Ketonesp. 129
Carboxylic Acidsp. 131
Esters and Lactonesp. 133
Amides and Lactamsp. 135
Miscellaneous Carbonyl Derivativesp. 137
Miscellaneous Compoundsp. 139
Compounds with Group IV Elementsp. 139
Phosphorus Compoundsp. 140
Miscellaneous Organometallic Compoundsp. 142
Natural Productsp. 144
Amino Acidsp. 144
Carbohydratesp. 148
Nucleotides and Nucleosidesp. 150
Steroidsp. 152
Spectra of Solvents and Reference Compoundsp. 153
13C NMR Spectra of Common Deuterated Solventsp. 153
13C NMR Spectra of Secondary Reference Compoundsp. 155
13C NMR Spectrum of a Mixture of Common Nondeuterated Solventsp. 156
1H NMR Spectroscopyp. 157
Alkanesp. 157
Chemical Shiftsp. 157
Coupling Constantsp. 162
Alkenesp. 164
Substituted Ethylenesp. 164
Conjugated Dienesp. 170
Allenesp. 171
Alkynesp. 172
Alicyclicsp. 173
Aromatic Hydrocarbonsp. 177
Heteroaromatic Compoundsp. 184
Non-Condensed Heteroaromatic Ringsp. 184
Condensed Heteroaromatic Ringsp. 191
Halogen Compoundsp. 196
Fluoro Compoundsp. 196
Chloro Compoundsp. 197
Bromo Compoundsp. 198
Iodo Compoundsp. 199
Alcohols, Ethers, and Related Compoundsp. 200
Alcoholsp. 200
Ethersp. 202
Nitrogen Compoundsp. 205
Aminesp. 205
Nitro and Nitroso Compoundsp. 207
Nitrites and Nitratesp. 208
Nitrosamines, Azo and Azoxy Compoundsp. 208
Imines, Oximes, Hydrazones, and Azinesp. 209
Nitriles and Isonitrilesp. 210
Cyanates, Isocyanates, Thiocyanates, and Isothiocyanatesp. 211
Sulfur Compoundsp. 212
Thiolsp. 212
Sulfidesp. 213
Disulfides and Sulfonium Saltsp. 214
Sulfoxides and Sulfonesp. 214
Sulfonic, Sulfurous, and Sulfuric Acids and Derivativesp. 215
Thiocarboxylate Derivativesp. 215
Carbonyl Compoundsp. 216
Aldehydesp. 216
Ketonesp. 217
Carboxylic Acids and Carboxylatesp. 218
Esters and Lactonesp. 219
Amides and Lactamsp. 220
Miscellaneous Carbonyl Derivativesp. 224
Miscellaneous Compoundsp. 226
Compounds with Group IV Elementsp. 226
Phosphorus Compoundsp. 227
Miscellaneous Compoundsp. 230
Referencesp. 231
Natural Productsp. 232
Amino Acidsp. 232
Carbohydratesp. 235
Nucleotides and Nucleosidesp. 237
Spectra of Solvents and Reference Compoundsp. 239
1H NMR Spectra of Common Deuterated Solventsp. 239
1H NMR Spectra of Secondary Reference Compoundsp. 241
1H NMR Spectrum of a Mixture of Common Nondeuterated Solventsp. 242
Heteronuclear NMR Spectroscopyp. 243
19F NMR Spectroscopyp. 243
19F Chemical Shifts of Perfluoroalkanesp. 243
Estimation of 19F Chemical Shifts of Substituted Fluoroethylenesp. 247
Coupling Constants in Fluorinated Alkanes and Alkenesp. 248
19F Chemical Shifts of Allenes and Alkynesp. 249
19F Chemical Shifts and Coupling Constants of Fluorinated Alicyclicsp. 250
19F Chemical Shifts and Coupling Constants of Aromatics and Heteroaromaticsp. 251
19F Chemical Shifts of Alcohols and Ethersp. 254
19F Chemical Shifts of Fluorinated Amine, Imine, and Hydroxylamine Derivativesp. 255
19F Chemical Shifts of Sulfur Compoundsp. 256
19F Chemical Shifts of Carbonyl and Thiocarbonyl Compoundsp. 257
19F Chemical Shifts of Fluorinated Boron, Phosphorus, and Silicon Compoundsp. 258
19F Chemical Shifts of Natural Product Analoguesp. 259
Referencesp. 260
31P NMR Spectroscopyp. 261
31P Chemical Shifts of Tricoordinated Phosphorus, PR1R2R3p. 261
31P Chemical Shifts of Tetracoordinated Phosphonium Compoundsp. 262
31P Chemical Shifts of Compounds with a P=C or P=N Bondp. 263
31P Chemical Shifts of Tetracoordinated P(=O) and P(=S) Compoundsp. 264
31P Chemical Shifts of Penta- and Hexacoordinated Phosphorus Compoundsp. 266
31P Chemical Shifts of Natural Phosphorus Compoundsp. 267
IR Spectroscopyp. 269
Alkanesp. 269
Alkenesp. 272
Monoenesp. 272
Allenesp. 275
Alkynesp. 276
Alicyclicsp. 277
Aromatic Hydrocarbonsp. 279
Heteroaromatic Compoundsp. 282
Halogen Compoundsp. 284
Fluoro Compoundsp. 284
Chloro Compoundsp. 285
Bromo Compoundsp. 286
Iodo Compoundsp. 286
Alcohols, Ethers, and Related Compoundsp. 287
Alcohols and Phenolsp. 287
Ethers, Acetals, and Ketalsp. 288
Epoxidesp. 290
Peroxides and Hydroperoxidesp. 291
Nitrogen Compoundsp. 292
Amines and Related Compoundsp. 292
Nitro and Nitroso Compoundsp. 294
Imines and Oximesp. 296
Azo, Azoxy, and Azothio Compoundsp. 298
Nitriles and Isonitrilesp. 299
Diazo Compoundsp. 300
Cyanates and Isocyanatesp. 301
Thiocyanates and Isothiocyanatesp. 302
Sulfur Compoundsp. 304
Thiols and Sulfidesp. 304
Sulfoxides and Sulfonesp. 305
Thiocarbonyl Derivativesp. 307
Thiocarbonic Acid Derivativesp. 307
Carbonyl Compoundsp. 310
Aldehydesp. 310
Ketonesp. 311
Carboxylic Acidsp. 314
Esters and Lactonesp. 316
Amides and Lactamsp. 319
Acid Anhydridesp. 322
Acid Halidesp. 323
Carbonic Acid Derivativesp. 324
Miscellaneous Compoundsp. 327
Silicon Compoundsp. 327
Phosphorus Compoundsp. 328
Boron Compoundsp. 331
Amino Acidsp. 332
Solvents, Suspension Media, and Interferencesp. 333
Infrared Spectra of Common Solventsp. 333
Infrared Spectra of Suspension Mediap. 334
Interferences in Infrared Spectrap. 335
Mass Spectrometryp. 337
Alkanesp. 337
Alkenesp. 339
Alkynesp. 341
Alicyclicsp. 342
Aromatic Hydrocarbonsp. 345
Heteroaromatic Compoundsp. 347
Halogen Compoundsp. 352
Alcohols, Ethers, and Related Compoundsp. 354
Alcohols and Phenolsp. 354
Hydroperoxidesp. 356
Ethersp. 356
Aliphatic Epoxidesp. 359
Aliphatic Peroxidesp. 360
Referencesp. 361
Nitrogen Compoundsp. 362
Aminesp. 362
Nitro Compoundsp. 364
Diazo Compounds and Azobenzenesp. 364
Azidesp. 365
Nitriles and Isonitrilesp. 366
Cyanates, Isocyanates, Thiocyanates, and Isothiocyanatesp. 367
Referencesp. 369
Sulfur Compoundsp. 371
Thiolsp. 371
Sulfides and Disulfidesp. 371
Sulfoxides and Sulfonesp. 373
Sulfonic Acids and Their Esters and Amidesp. 376
Thiocarboxylic Acid Estersp. 377
Referencesp. 378
Carbonyl Compoundsp. 379
Aldehydesp. 379
Ketonesp. 380
Carboxylic Acidsp. 381
Carboxylic Acid Anhydridesp. 382
Esters and Lactonesp. 382
Amides and Lactamsp. 384
Imidesp. 386
Referencesp. 387
Miscellaneous Compoundsp. 388
Trialkylsilyl Ethersp. 388
Phosphorus Compoundsp. 388
Referencesp. 389
Mass Spectra of Common Solvents and Matrix Compoundsp. 390
Electron Impact Ionization Mass Spectra of Common Solventsp. 390
Spectra of Common FAB MS Matrix and Calibration Compoundsp. 393
Spectra of Common MALDI MS Matrix Compoundsp. 398
Referencesp. 400
UV/Vis Spectroscopyp. 401
Correlation between Wavelength of Absorbed Radiation and Observed Colorp. 401
Simple Chromophoresp. 401
Conjugated Alkenesp. 403
Dienes and Polyenesp. 403
,-Unsaturated Carbonyl Compoundsp. 404
Aromatic Hydrocarbonsp. 406
Monosubstituted Benzenesp. 406
Polysubstituted Benzenesp. 407
Aromatic Carbonyl Compoundsp. 408
Reference Spectrap. 409
Alkenes and Alkynesp. 409
Aromatic Compoundsp. 410
Heteroaromatic Compoundsp. 415
Miscellaneous Compoundsp. 417
Nucleotidesp. 419
Common Solventsp. 420
Subject Indexp. 421
Table of Contents provided by Ingram. All Rights Reserved.

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