Table 4.
1H chemical shift in ppm (observed and theoretical) of H-4, M-4, Br-4 and Cl-4.
| Experimental |
Theoretical |
|||||||
|---|---|---|---|---|---|---|---|---|
| H-4 | M-4 | Br-4 | Cl-4 | H-4 | M-4 | Br-4 | Cl-4 | |
| H (8) | 7.90 | 7.86 | 7.97 | 7.88 | 10.05 | 10.12 | 10.08 | 10.22 |
| H (7) | 7.76 | 7.74 | 7.80 | 7.66 | 9.60 | 9.32 | 9.37 | 9.42 |
| H (6) | 7.65 | 7.65 | 7.73 | 7.53 | 9.42 | 9.57 | 9.48 | 9.56 |
| H (5) | 7.89 | 7.88 | 7.95 | 7.77 | 9.55 | 9.58 | 9.70 | 6.67 |
| R-(3) | 5.64 | 2.06 | - | 7.01 | 3.31 | |||
| NH | 7.50 | 6.49 | 7.42 | 7.80 | 6.03 | 5.83 | 6.28 | 6.25 |
| H(a) | 0.88 | 0.84 | 0.89 | 0.86 | 2.05 | 1.93 | 2.07 | 2.07 |
| H(b) | 1.33 | 1.27 | 1.33 | 1.32 | 2.28 | 2.21 | 2.37 | 2.30 |
| H(g) | 1.54 | 1.48 | 1.59 | 1.52 | 2.62 | 2.51 | 2.38 | 2.50 |
| H(h) | 3.15 | 3.45 | 3.74 | 2.79 | 3.88 | 4.25 | 4.79 | 4.82 |
