By Ernö Pretsch, Philippe Bühlmann
This succinct compilation of crucial reference info for the translation of NMR, IR, UV/Vis, and mass spectra additionally presents a hands-on consultant for analyzing experimental spectral information and elucidating the constitution of the respective compounds at the back of them. This fourth variation of the hugely winning and concise textbook includes approximately 20% new data.
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Extra info for Structure Determination of Organic Compounds: Tables of Spectral Data
Four O (pH zero. 32) + S H3 N 28. 1 + C OH X P Si Solvents OH 172. eight fifty three. 7 O (pH zero. forty six) H3 N O 28. 2 + 182. four 34. 7 O 28. 7 forty. three 24. zero O– one hundred seventy five. three fifty five. five O (pH five. 02) H2 N 27. 6 22. 6 OH 173. 2 fifty four. zero O (pH zero. 50) forty. five 31. 2 H2 N 181. three O– O– H2 N 183. four fifty five. three O (pH 12. seventy three) O 33. zero – one hundred seventy five. eight fifty six. zero O (pH 6. ninety five) H3 N forty four. five OH H3 N + 173. eight O O– 184. zero 35. three O– H2 N 183. nine fifty seven. 2 O (pH 12. fifty one) H2 N 33. three forty-one. nine 29. four O– H2 N 184. 6 fifty seven. 2 O (pH thirteen. fifty three) NH3 + NH3 + 30. five + 24. zero H3 N forty. five normal items forty. 2 O– a hundred seventy five. five fifty three. five O (pH 6. seventy three) 172. four 30. 7 H3 N 178. 7 OH H3 N OH H3 N (in D2O/DCl) 37. eight + + O O 174. four OH H3 N 174. nine 118. 6 OH 133. five 157. 7 128. 2 37. three fifty six. 7 OH NH2 27. 7 22. 6 O– one hundred seventy five. eight fifty five. nine O (pH 6. 03) forty-one. eight 35. 7 H2 N 33. zero 23. 6 O– 184. 6 fifty seven. three O (pH thirteen. eighty five) + four. thirteen traditional items H2 N HN 157. eight 28. zero + + NH2 24. nine 28. eight H2 N 172. eight fifty three. nine O (pH 1. 33) H2 + O HO 38. five seventy one. 1 sixty one. zero O– fifty four. zero a hundred seventy five. 1 N 118. nine seventy three. nine fifty seven. 7 NH3 + N forty two. 1 25. 6 32. 7 one hundred seventy five. four O– 183. nine H2 N fifty six. 6 O (pH eleven. fifty two) O 117. 7 H C C C C O (pH nine. eighty) N Hal O O NH3 + C 24. eight 30. zero sixty two. four O– forty seven. 2 one hundred seventy five. eight N forty-one. nine sixty four. five O– 179. 2 N H2 + O 157. eight – (pH 7. 26) HO N 25. zero O NH2 HN forty-one. 6 24. eight 30. zero sixty two. three O– forty seven. 2 a hundred seventy five. four N (pH 1. 27) H2 + HN 157. nine fifty five. four O (pH 7. 87) 24. four 29. four sixty one. zero OH forty seven. four 173. three N H2 + NH2 HN forty-one. five OH H3 N H2 N 147 N N 118. 2 NH2 fifty three. 6 OH fifty five. 7 O– fifty six. 1 O– S 172. 1 174. eight 176. nine one hundred thirty five. zero N 137. 2 N 137. 1 N 26. 2 29. zero 30. 1 H H H O O O 127. 7 133. 1 133. five C X (pH 1. seventy four) (pH 7. eighty two) (pH nine. 21) NH3 + 121. eight one hundred twenty. five fifty six. zero O 128. nine 28. 2 174. 7 124. five OH N H 114. 2 127. 6 114. 2 138. 6 (in D2O/DCl) NH3 + one hundred twenty. three 119. three P Si fifty six. 1 O 127. 7 27. 2 174. eight traditional 122. nine items O– N 112. 7 H 137. three (80 oC) 108. 7 one hundred twenty five. eight Solvents 4 13C NMR 148 four. thirteen. 2 Carbohydrates 13C C C Ribose C C Chemical Shifts of Monosaccharides (δ in ppm) HO sixty eight. 1 sixty three. eight O 70. 1 C HO ninety four. three OH OH 70. eight OH sixty two. 1 eighty three. eight 70. eight HO N Hal HO 70. four HO S C X P Si usual items Solvents ninety seven. 1 seventy one. 7 OH OH OH sixty nine. 2 O CH3 fifty six. 7 sixty three. three OH seventy one. zero sixty one. nine eighty four. 6 sixty nine. eight OH O one hundred and one. 7 seventy six. zero OH O O CH3 fifty five. five seventy one. 1 OH HO HO O OH 103. 1 CH3 fifty seven. zero OH seventy one. nine HO HO a hundred. four OH OH ninety four. 7 eighty three. three seventy one. 2 OH sixty eight. 6 sixty three. nine O sixty eight. 6 sixty nine. 7 HO sixty seven. four 60. eight O O N O HO sixty eight. 2 sixty three. eight O sixty two. nine eighty three. zero 70. nine HO O CH3 fifty five. three O 108. zero seventy four. three OH Glucose 70. 6 HO HO 70. 6 HO HO OH sixty one. 6 seventy two. three 70. 6 O seventy three. eight ninety two. nine OH seventy two. five OH OH sixty one. 6 seventy two. five 70. 6 O seventy four. 1 OH seventy two. 2 O HO HO a hundred. zero CH3 fifty five. nine HO HO OH sixty one. 7 seventy six. eight O seventy six. 7 OH OH ninety six. 7 seventy five. 1 OH sixty one. eight seventy six. eight O seventy six. eight O OH 104. zero CH3 fifty eight. 1 seventy four. 1 four. thirteen ordinary items OAc sixty one. 1 70. zero sixty eight. 1 AcO AcO sixty nine. four O 70. zero 89. 2 OAc sixty nine. four OAc AcO AcO 149 OAc sixty one. 7 seventy two. eight O seventy two. eight OAc OAc ninety one. eight 70. five Fructose HO HO O seventy one. three 70. nine OH sixty five. nine OH OH strains in water and in DMSO HO sixty one. nine eighty two. 2 seventy seven. zero one zero five. five O sixty three. eight OH OH OH HO eighty two. nine four% in water, 20% in DMSO 13C-1H ninety nine. 1 OH sixty four. 1 70. zero O OH OH C C C C C sixty four. 7 70. five sixty eight. four seventy five% in water, 25% in DMSO HO HO HO sixty three. 2 eighty one. 6 seventy five. four HO N 102. 6 O OH OH sixty three. 6 Hal OH O seventy six.