Table 3.
1H chemical shift in ppm (observed and calculated) of H-1, M-1, Br-1, Cl-1.
| Experimental |
Theoretical |
|||||||
|---|---|---|---|---|---|---|---|---|
| H-1 | M-1 | Br-1 | Cl-1 | H-1 | M-1 | Br-1 | Cl-1 | |
| H (8) | 7.94 | 7.90 | 7.95 | 7.96 | 9.96 | 10.14 | 9.51 | 9.96 |
| H (7) | 7.80 | 7.74 | 7.79 | 7.81 | 9.70 | 9.33 | 9.46 | 8.94 |
| H (6) | 7.69 | 7.64 | 7.71 | 7.72 | 9.61 | 9.46 | 9.84 | 9.21 |
| H (5) | 7.91 | 7.84 | 7.94 | 7.95 | 9.61 | 9.90 | 10.02 | 10.23 |
| R-(3) | 5.56 | 2.10 | - | - | 7.22 | 4.03 | - | - |
| NH | 7.60 | 6.83 | 7.53 | 7.55 | 6.16 | 6.05 | 6.37 | 6.37 |
| H(a) | 2.76 | 3.14 | 3.25 | 3.28 | 3.72 | 3.26 | 4.33 | 4.36 |
