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This succinct compilation of crucial reference facts for the translation of NMR, IR, UV/Vis, and mass spectra additionally offers a hands-on consultant for reading experimental spectral information and elucidating the constitution of the respective compounds at the back of them. This fourth variation of the hugely profitable and concise textbook comprises approximately 20% new data.
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Additional info for Structure Determination of Organic Compounds: Tables of Spectral Data
Five HN forty two. zero 22. three 31. five 20. nine a hundred sixty five. zero O HN 123. 2 139. 7 136. 1 106. 6 169. four O 34. four N forty nine. nine 23. three 32. three 21. 6 179. four O a hundred and twenty. eight 142. zero HN forty two. five 36. eight 23. four 29. nine 30. 7 four. eleven Carbonyl Compounds 137 four. eleven. 6 Miscellaneous Carbonyl Derivatives 13C Chemical Shifts of Carboxylic Acid Halides (δ in ppm) 161. zero O a hundred and seventy. four O H3 C H3 C Cl I forty seven. three 176. 3O 29. 7 25. five 25. nine Cl 131. four H3 C Br 39. 1 C 156. 1 O Cl fifty five. four 128. eight a hundred thirty five. 1 168. zero O 131. 2 C C C C Cl 133. 2 Chemical Shifts of Carboxylic Acid Anhydrides (δ in ppm) 158. five O 166. 6 O O H O thirteen. four 37. 2 35. 2 CF forty eight Hz a hundred and fifty. 1 O O O 113. five 1J CF 285 Hz O 172. five O O 172. eight O 18. three O 2J F3 C O 22. 1 O 154. zero O CF3 Cl3 C 87. nine O 137. four a hundred sixty five. nine O O a hundred and seventy. nine O eight. five O H3 C H 169. 6 O 18. 2 28. 2 Cl 33. 6 a hundred sixty five. 6 O 137. three forty-one. zero 13C H3 C F 174. 7 O nine. three a hundred sixty five. 7 O CH3 O O CCl3 30. 1 sixteen. 7 27. four forty. 2 O 128. nine 134. five O 168. five O O O Hal O 173. nine O 26. five O N O O N O S 162. four O one hundred thirty. five O C O 128. nine X P Si common items 131. 1 O one hundred twenty five. three 163. 1 136. 1 Solvents O O 4 13C NMR 138 13C Chemical Shifts of Carboxylic Acid Imides (δ in ppm) 171. 6 O C H3 C C C 173. zero O O N H 24. 1 CH3 H3 C C one hundred thirty five. five CH3 31. three O P Si ordinary items Solvents O H3 C O CH3 O O one hundred fifty five. nine O O O 14. four sixty eight. 1 H2 N NH2 N N H N H forty five. zero forty eight. zero O O– N H3 C 12. three 14. 7 12. three S S N 38. five N CH3 S– Na+ forty nine. 6 (in D2O) 194. zero S forty three. 2 N forty three. 2 N one hundred forty. three N 22. three O 226. 2 S 20. 2 one hundred sixty five. four O 38. five 34. zero 35. 6 N 168. 2 O 206. 7 S forty nine. 6 60. 7 O 15. five (in DMSO) 156. nine O 162. zero O – O 148. 7 O O 21. 7 O 158. 7 O S thirteen. 6 30. nine 157. eight O 27. four 163. five O 31. four O O H3 C O one hundred fifty five. nine O 19. 1 sixty seven. three 131. 7 O 153. four (in D2O) H2 N S C a hundred and fifty five. four O sixty three. eight O– NH4 + H2 N 192. eight O C O 162. zero O X 23. 2 124. 2 156. five O fifty four. nine N C N CH3 Chemical Shifts of Carbonic Acid Derivatives (δ in ppm) sixty five. zero S 131. five O 122. four 167. five O C O Hal 24. zero O 133. 7 N CH3 N CH3 23. 6 181. three N O one hundred seventy. eight 134. three NH O 13C CH3 177. 6 27. nine NH O 173. zero O 183. 6 30. three N 26. zero O C O O N C N 24. 7 forty nine. zero N four. 12 Miscellaneous Compounds 139 four. 12 Miscellaneous Compounds four. 12. 1 Compounds with workforce IV parts 13C C Chemical Shifts of Silicon Compounds (δ in ppm) CH3 CH3 zero. zero H3 C Si CH3 Cl Si CH3 CH3 CH3 7. four O four. 7 Cl Cl Si three. 1 Cl 169. zero O five. zero O sixteen. 2 sixteen. 6 138. 7 26. 6 21. 6 Si Cl 6. 7 Cl Si CH3 CH3 Si Cl three. three Si nine. eight Cl Si CH3 Cl -2. zero Si C N Hal Si fifty eight. three -7. 1 O C one hundred thirty five. 7 18. three O C 136. three 129. 6 H3 C Si O C 134. three 136. four 129. 6 O 127. nine N 13C Chemical Shifts and Coupling Constants of Germanium and Lead Compounds (δ in ppm, |J| in Hz) CH3 CH3 H3 C Ge CH3 -3. 6 H3 C Sn CH3 -9. three CH3 1J CH3 3J 2J fifty two 38 4J 1J 128. three 137. nine 19 C 3J 2J 478 Sn a hundred thirty five. four 129. 1 eleven 531 Ge 136. 2 H3 C Pb CH3 -4. 2 CH3 4J eighty sixty seven Pb 137. 2 128. 6 129. 1 Couplings with 119Sn (8. 58%, I = half) S CH3 one hundred fifty. 1 137. 6 129. five 128. five Couplings with 207Pb (22. 6%, I = half) X P Si usual items Solvents 140 four 13C NMR four.