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Calculated 1H and13 C NMR Chemical shifts (ppm) of Chromone-3-Carboxylic acid at B3LYP/6311++G (d,p) basis set.
| Atom | Gas (ppm) | DMSO (ppm) | Experimental DMSO |
|---|---|---|---|
| C1 | 135 | 137 | 135 |
| C2 | 118 | 120 | 118 |
| C3 | 156 | 157 | 155 |
| C4 | 124 | 123 | 123 |
| C5 | 129 | 127 | 125 |
| C6 | 127 | 128 | 126 |
| C9 | 177 | 178 | 176 |
| C12 | 114 | 113 | 114 |
| C13 | 163 | 166 | 163 |
| C17 | 161 | 164 | 163 |
| H7 | 8.4 | 8.2 | 8.1 |
| H8 | 7.7 | 8.0 | 7.9 |
| H10 | 8.9 | 8.8 | 7.7 |
| H11 | 8.8 | 7.7 | 7.6 |
| H14 | 9.0 | 9.0 | 9.1 |
| H20 | 13 | 13 | 13 |
