Descripciones mejoradas de Syndetics:

This succinct compilation of essential reference data for the interpretation of NMR, IR, UV/Vis, and mass spectra also provides a hands-on guide for interpreting experimental spectral data and elucidating the structure of the respective compounds behind them. This fourth edition of the highly successful and concise textbook contains about 20% new data.

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• 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 13C NMR Spectroscopy(p. 7)
• 2.3 1H 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 Masses and Representative Relative Abundances of Isotopes(p. 18)
• 2.5.2 Ranges of Natural Isotope Abundances of Selected Elements(p. 25)
• 2.5.3 Isotope Patterns of Naturally Occurring Elements(p. 26)
• 2.5.4 Calculation of Isotope Distributions(p. 27)
• 2.5.5 Isotopic Abundances of Various Combinations of Chlorine, Bromine, Sulfur, and Silicon(p. 29)
• 2.5.6 Isotope Patterns of Combinations of Cl and Br(p. 31)
• 2.5.7 Indicators of the Presence of Heteroatoms(p. 32)
• 2.5.8 Rules for Determining the Relative Molecular Weight (Mr)(p. 34)
• 2.5.9 Homologous Mass Series as Indications of Structural Type(p. 35)
• 2.5.10 Mass Correlation Table(p. 37)
• 2.5.11 References(p. 45)
• 2.6 UV/Vis Spectroscopy(p. 46)
• 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. 61)
• 3.10 Carbonyl Compounds(p. 62)
• 3.10.1 Aldehydes(p. 62)
• 3.10.2 Ketones(p. 63)
• 3.10.3 Carboxylic Acids(p. 64)
• 3.10.4 Esters and Lactones(p. 65)
• 3.10.5 Amides and Lactams(p. 67)
• 4 13C NMR Spectroscopy(p. 69)
• 4.1 Alkanes(p. 69)
• 4.1.1 Chemical Shifts(p. 69)
• 4.1.2 Coupling Constants(p. 78)
• 4.1.3 References(p. 79)
• 4.2 Alkenes(p. 80)
• 4.2.1 Chemical Shifts(p. 80)
• 4.2.2 Coupling Constants(p. 84)
• 4.2.3 References(p. 84)
• 4.3 Alkynes(p. 85)
• 4.3.1 Chemical Shifts(p. 85)
• 4.3.2 Coupling Constants(p. 85)
• 4.3.3 References(p. 86)
• 4.4 Alicyclics(p. 87)
• 4.4.1 Chemical Shifts(p. 87)
• 4.4.2 Coupling Constants(p. 92)
• 4.5 Aromatic Hydrocarbons(p. 93)
• 4.5.1 Chemical Shifts(p. 93)
• 4.5.2 Coupling Constants(p. 100)
• 4.5.3 References(p. 100)
• 4.6 Heteroaromatic Compounds(p. 101)
• 4.6.1 Chemical Shifts(p. 101)
• 4.6.2 Coupling Constants(p. 108)
• 4.7 Halogen Compounds(p. 109)
• 4.7.1 Fluoro Compounds(p. 109)
• 4.7.2 Chloro Compounds(p. 111)
• 4.7.3 Bromo Compounds(p. 112)
• 4.7.4 Iodo Compounds(p. 113)
• 4.7.5 References(p. 113)
• 4.8 Alcohols, Ethers, and Related Compounds(p. 114)
• 4.8.1 Alcohols(p. 114)
• 4.8.2 Ethers(p. 115)
• 4.9 Nitrogen Compounds(p. 117)
• 4.9.1 Amines(p. 117)
• 4.9.2 Nitro and Nitroso Compounds(p. 119)
• 4.9.3 Nitrosamines and Nitramines(p. 120)
• 4.9.4 Azo and Azoxy Compounds(p. 120)
• 4.9.5 Imines and Oximes(p. 120)
• 4.9.6 Hydrazones and Carbodiimides(p. 121)
• 4.9.7 Nitriles and Isonitriles(p. 122)
• 4.9.8 Isocyanates, Thiocyanates, and Isothiocyanates(p. 122)
• 4.10 Sulfur Compounds(p. 123)
• 4.10.1 Thiols(p. 123)
• 4.10.2 Sulfides(p. 123)
• 4.10.3 Disulfides and Sulfonium Salts(p. 124)
• 4.10.4 Sulfoxides and Sulfones(p. 125)
• 4.10.5 Sulfonic and Sulfinic Acids and Derivatives(p. 126)
• 4.10.6 Sulfurous and Sulfuric Acid Derivatives(p. 126)
• 4.10.7 Sulfur-Containing Carbonyl Derivatives(p. 127)
• 4.11 Carbonyl Compounds(p. 128)
• 4.11.1 Aldehydes(p. 128)
• 4.11.2 Ketones(p. 129)
• 4.11.3 Carboxylic Acids(p. 131)
• 4.11.4 Esters and Lactones(p. 133)
• 4.11.5 Amides and Lactams(p. 135)
• 4.11.6 Miscellaneous Carbonyl Derivatives(p. 137)
• 4.12 Miscellaneous Compounds(p. 139)
• 4.12.1 Compounds with Group IV Elements(p. 139)
• 4.12.2 Phosphorus Compounds(p. 140)
• 4.12.3 Miscellaneous Organometallic Compounds(p. 142)
• 4.13 Natural Products(p. 144)
• 4.13.1 Amino Acids(p. 144)
• 4.13.2 Carbohydrates(p. 148)
• 4.13.3 Nucleotides and Nucleosides(p. 150)
• 4.13.4 Steroids(p. 152)
• 4.14 Spectra of Solvents and Reference Compounds(p. 153)
• 4.14.1 13C NMR Spectra of Common Deuterated Solvents(p. 153)
• 4.14.2 13C NMR Spectra of Secondary Reference Compounds(p. 155)
• 4.14.3 13C NMR Spectrum of a Mixture of Common Nondeuterated Solvents(p. 156)
• 5 1H NMR Spectroscopy(p. 157)
• 5.1 Alkanes(p. 157)
• 5.1.1 Chemical Shifts(p. 157)
• 5.1.2 Coupling Constants(p. 162)
• 5.2 Alkenes(p. 164)
• 5.2.1 Substituted Ethylenes(p. 164)
• 5.2.2 Conjugated Dienes(p. 170)
• 5.2.3 Allenes(p. 171)
• 5.3 Alkynes(p. 172)
• 5.4 Alicyclics(p. 173)
• 5.5 Aromatic Hydrocarbons(p. 177)
• 5.6 Heteroaromatic Compounds(p. 184)
• 5.6.1 Non-Condensed Heteroaromatic Rings(p. 184)
• 5.6.2 Condensed Heteroaromatic Rings(p. 191)
• 5.7 Halogen Compounds(p. 196)
• 5.7.1 Fluoro Compounds(p. 196)
• 5.7.2 Chloro Compounds(p. 197)
• 5.7.3 Bromo Compounds(p. 198)
• 5.7.4 Iodo Compounds(p. 199)
• 5.8 Alcohols, Ethers, and Related Compounds(p. 200)
• 5.8.1 Alcohols(p. 200)
• 5.8.2 Ethers(p. 202)
• 5.9 Nitrogen Compounds(p. 205)
• 5.9.1 Amines(p. 205)
• 5.9.2 Nitro and Nitroso Compounds(p. 207)
• 5.9.3 Nitrites and Nitrates(p. 208)
• 5.9.4 Nitrosamines, Azo and Azoxy Compounds(p. 208)
• 5.9.5 Imines, Oximes, Hydrazones, and Azines(p. 209)
• 5.9.6 Nitriles and Isonitriles(p. 210)
• 5.9.7 Cyanates, Isocyanates, Thiocyanates, and Isothiocyanates(p. 211)
• 5.10 Sulfur Compounds(p. 212)
• 5.10.1 Thiols(p. 212)
• 5.10.2 Sulfides(p. 213)
• 5.10.3 Disulfides and Sulfonium Salts(p. 214)
• 5.10.4 Sulfoxides and Sulfones(p. 214)
• 5.10.5 Sulfonic, Sulfurous, and Sulfuric Acids and Derivatives(p. 215)
• 5.10.6 Thiocarboxylate Derivatives(p. 215)
• 5.11 Carbonyl Compounds(p. 216)
• 5.11.1 Aldehydes(p. 216)
• 5.11.2 Ketones(p. 217)
• 5.11.3 Carboxylic Acids and Carboxylates(p. 218)
• 5.11.4 Esters and Lactones(p. 219)
• 5.11.5 Amides and Lactams(p. 220)
• 5.11.6 Miscellaneous Carbonyl Derivatives(p. 224)
• 5.12 Miscellaneous Compounds(p. 226)
• 5.12.1 Compounds with Group IV Elements(p. 226)
• 5.12.2 Phosphorus Compounds(p. 227)
• 5.12.3 Miscellaneous Compounds(p. 230)
• 5.12.4 References(p. 231)
• 5.13 Natural Products(p. 232)
• 5.13.1 Amino Acids(p. 232)
• 5.13.2 Carbohydrates(p. 235)
• 5.13.3 Nucleotides and Nucleosides(p. 237)
• 5.14 Spectra of Solvents and Reference Compounds(p. 239)
• 5.14.1 1H NMR Spectra of Common Deuterated Solvents(p. 239)
• 5.14.2 1H NMR Spectra of Secondary Reference Compounds(p. 241)
• 5.14.3 1H NMR Spectrum of a Mixture of Common Nondeuterated Solvents(p. 242)
• 6 Heteronuclear NMR Spectroscopy(p. 243)
• 6.1 19F NMR Spectroscopy(p. 243)
• 6.1.1 19F Chemical Shifts of Perfluoroalkanes(p. 243)
• 6.1.2 Estimation of 19F Chemical Shifts of Substituted Fluoroethylenes(p. 247)
• 6.1.3 Coupling Constants in Fluorinated Alkanes and Alkenes(p. 248)
• 6.1.4 19F Chemical Shifts of Allenes and Alkynes(p. 249)
• 6.1.5 19F Chemical Shifts and Coupling Constants of Fluorinated Alicyclics(p. 250)
• 6.1.6 19F Chemical Shifts and Coupling Constants of Aromatics and Heteroaromatics(p. 251)
• 6.1.7 19F Chemical Shifts of Alcohols and Ethers(p. 254)
• 6.1.8 19F Chemical Shifts of Fluorinated Amine, Imine, and Hydroxylamine Derivatives(p. 255)
• 6.1.9 19F Chemical Shifts of Sulfur Compounds(p. 256)
• 6.1.10 19F Chemical Shifts of Carbonyl and Thiocarbonyl Compounds(p. 257)
• 6.1.11 19F Chemical Shifts of Fluorinated Boron, Phosphorus, and Silicon Compounds(p. 258)
• 6.1.12 19F Chemical Shifts of Natural Product Analogues(p. 259)
• 6.1.13 References(p. 260)
• 6.2 31P NMR Spectroscopy(p. 261)
• 6.2.1 31P Chemical Shifts of Tricoordinated Phosphorus, PR1R2R3(p. 261)
• 6.2.2 31P Chemical Shifts of Tetracoordinated Phosphonium Compounds(p. 262)
• 6.2.3 31P Chemical Shifts of Compounds with a P=C or P=N Bond(p. 263)
• 6.2.4 31P Chemical Shifts of Tetracoordinated P(=O) and P(=S) Compounds(p. 264)
• 6.2.5 31P Chemical Shifts of Penta- and Hexacoordinated Phosphorus Compounds(p. 266)
• 6.2.6 31P Chemical Shifts of Natural Phosphorus Compounds(p. 267)
• 7 IR Spectroscopy(p. 269)
• 7.1 Alkanes(p. 269)
• 7.2 Alkenes(p. 272)
• 7.2.1 Monoenes(p. 272)
• 7.2.2 Allenes(p. 275)
• 7.3 Alkynes(p. 276)
• 7.4 Alicyclics(p. 277)
• 7.5 Aromatic Hydrocarbons(p. 279)
• 7.6 Heteroaromatic Compounds(p. 282)
• 7.7 Halogen Compounds(p. 284)
• 7.7.1 Fluoro Compounds(p. 284)
• 7.7.2 Chloro Compounds(p. 285)
• 7.7.3 Bromo Compounds(p. 286)
• 7.7.4 Iodo Compounds(p. 286)
• 7.8 Alcohols, Ethers, and Related Compounds(p. 287)
• 7.8.1 Alcohols and Phenols(p. 287)
• 7.8.2 Ethers, Acetals, and Ketals(p. 288)
• 7.8.3 Epoxides(p. 290)
• 7.8.4 Peroxides and Hydroperoxides(p. 291)
• 7.9 Nitrogen Compounds(p. 292)
• 7.9.1 Amines and Related Compounds(p. 292)
• 7.9.2 Nitro and Nitroso Compounds(p. 294)
• 7.9.3 Imines and Oximes(p. 296)
• 7.9.4 Azo, Azoxy, and Azothio Compounds(p. 298)
• 7.9.5 Nitriles and Isonitriles(p. 299)
• 7.9.6 Diazo Compounds(p. 300)
• 7.9.7 Cyanates and Isocyanates(p. 301)
• 7.9.8 Thiocyanates and Isothiocyanates(p. 302)
• 7.10 Sulfur Compounds(p. 304)
• 7.10.1 Thiols and Sulfides(p. 304)
• 7.10.2 Sulfoxides and Sulfones(p. 305)
• 7.10.3 Thiocarbonyl Derivatives(p. 307)
• 7.10.4 Thiocarbonic Acid Derivatives(p. 307)
• 7.11 Carbonyl Compounds(p. 310)
• 7.11.1 Aldehydes(p. 310)
• 7.11.2 Ketones(p. 311)
• 7.11.3 Carboxylic Acids(p. 314)
• 7.11.4 Esters and Lactones(p. 316)
• 7.11.5 Amides and Lactams(p. 319)
• 7.11.6 Acid Anhydrides(p. 322)
• 7.11.7 Acid Halides(p. 323)
• 7.11.8 Carbonic Acid Derivatives(p. 324)
• 7.12 Miscellaneous Compounds(p. 327)
• 7.12.1 Silicon Compounds(p. 327)
• 7.12.2 Phosphorus Compounds(p. 328)
• 7.12.3 Boron Compounds(p. 331)
• 7.13 Amino Acids(p. 332)
• 7.14 Solvents, Suspension Media, and Interferences(p. 333)
• 7.14.1 Infrared Spectra of Common Solvents(p. 333)
• 7.14.2 Infrared Spectra of Suspension Media(p. 334)
• 7.14.3 Interferences in Infrared Spectra(p. 335)
• 8 Mass Spectrometry(p. 337)
• 8.1 Alkanes(p. 337)
• 8.2 Alkenes(p. 339)
• 8.3 Alkynes(p. 341)
• 8.4 Alicyclics(p. 342)
• 8.5 Aromatic Hydrocarbons(p. 345)
• 8.6 Heteroaromatic Compounds(p. 347)
• 8.7 Halogen Compounds(p. 352)
• 8.8 Alcohols, Ethers, and Related Compounds(p. 354)
• 8.8.1 Alcohols and Phenols(p. 354)
• 8.8.2 Hydroperoxides(p. 356)
• 8.8.3 Ethers(p. 356)
• 8.8.4 Aliphatic Epoxides(p. 359)
• 8.8.5 Aliphatic Peroxides(p. 360)
• 8.8.6 References(p. 361)
• 8.9 Nitrogen Compounds(p. 362)
• 8.9.1 Amines(p. 362)
• 8.9.2 Nitro Compounds(p. 364)
• 8.9.3 Diazo Compounds and Azobenzenes(p. 364)
• 8.9.4 Azides(p. 365)
• 8.9.5 Nitriles and Isonitriles(p. 366)
• 8.9.6 Cyanates, Isocyanates, Thiocyanates, and Isothiocyanates(p. 367)
• 8.9.7 References(p. 369)
• 8.10 Sulfur Compounds(p. 371)
• 8.10.1 Thiols(p. 371)
• 8.10.2 Sulfides and Disulfides(p. 371)
• 8.10.3 Sulfoxides and Sulfones(p. 373)
• 8.10.4 Sulfonic Acids and Their Esters and Amides(p. 376)
• 8.10.5 Thiocarboxylic Acid Esters(p. 377)
• 8.10.6 References(p. 378)
• 8.11 Carbonyl Compounds(p. 379)
• 8.11.1 Aldehydes(p. 379)
• 8.11.2 Ketones(p. 380)
• 8.11.3 Carboxylic Acids(p. 381)
• 8.11.4 Carboxylic Acid Anhydrides(p. 382)
• 8.11.5 Esters and Lactones(p. 382)
• 8.11.6 Amides and Lactams(p. 384)
• 8.11.7 Imides(p. 386)
• 8.11.8 References(p. 387)
• 8.12 Miscellaneous Compounds(p. 388)
• 8.12.1 Trialkylsilyl Ethers(p. 388)
• 8.12.2 Phosphorus Compounds(p. 388)
• 8.12.3 References(p. 389)
• 8.13 Mass Spectra of Common Solvents and Matrix Compounds(p. 390)
• 8.13.1 Electron Impact Ionization Mass Spectra of Common Solvents(p. 390)
• 8.13.2 Spectra of Common FAB MS Matrix and Calibration Compounds(p. 393)
• 8.13.3 Spectra of Common MALDI MS Matrix Compounds(p. 398)
• 8.13.4 References(p. 400)
• 9 UV/Vis Spectroscopy(p. 401)
• 9.1 Correlation between Wavelength of Absorbed Radiation and Observed Color(p. 401)
• 9.2 Simple Chromophores(p. 401)
• 9.3 Conjugated Alkenes(p. 403)
• 9.3.1 Dienes and Polyenes(p. 403)
• 9.3.2 ¿,ß-Unsaturated Carbonyl Compounds(p. 404)
• 9.4 Aromatic Hydrocarbons(p. 406)
• 9.4.1 Monosubstituted Benzenes(p. 406)
• 9.4.2 Polysubstituted Benzenes(p. 407)
• 9.4.3 Aromatic Carbonyl Compounds(p. 408)
• 9.5 Reference Spectra(p. 409)
• 9.5.1 Alkenes and Alkynes(p. 409)
• 9.5.2 Aromatic Compounds(p. 410)
• 9.5.3 Heteroaromatic Compounds(p. 415)
• 9.5.4 Miscellaneous Compounds(p. 417)
• 9.5.5 Nucleotides(p. 419)
• 9.6 Common Solvents(p. 420)
• Subject Index(p. 421)