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Table 2 Experimental and predicted 13C chemical shifts for the different constitutions suggested for Aflatoxin B1.

From: Theoretical NMR correlations based Structure Discussion

  13C shifts for molecule
  exp 4 5 6 7 8 9 10
C 201 170 167 200 203 202 190 190
C 177 167 166 177 161 167 175 166
C 166 163 163 161 155 154 169 162
C 161 152 154 159 150 145 158 160
C 155 149 149 159 137 144 153 154
C 153 140 142 151 136 141 152 127
C 117 128 125 123 133 126 140 122
C 108 117 116 111 129 122 131 121
C 104 112 113 104 128 107 104 114
CH 145 149 149 149 149 149 149 149
CH 114 106 106 100 105 105 105 107
CH 103 105 105 100 100 94 93 101
CH 91 93 93 97 100 88 93 100
CH 48 43 46 45 48 50 43 45
CH2 35 35 35 34 30 32 33 33
CH2 29 24 21 28 25 31 14 14
CH3 57 53 53 56 56 59 58 52
∑|Δδ|   130 127 56 171 122 116 129