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Comparing of experimental shift (ppm) and calculated shift (ppm) possible isomers
| Experimental shift (ppm) | Calculated shift (ppm) | ||
|---|---|---|---|
| Isomer A | Isomer B | Isomer C | |
| 5.23 | 4.97 | 4.21 | 4.43 |
| 7.02 | 6.99 | 8.34 | 7.34 |
| 7.15 | 7.22 | 6.89 | 8.14 |
| 7.75 | 7.71 | 7.43 | 7.82 |
| 8.23 | 8.35 | 8.46 | 8.34 |
| 10.58 | 9.38 | – | 10.16 |
| 12.59 | 11.71 | 11.71 | – |
