Table 5.
1H chemical shift in ppm (observed and theoretical) of H-8, M-8, Br-8 and Cl-8.
| Experimental |
Theoretical |
|||||||
|---|---|---|---|---|---|---|---|---|
| H-8 | M-8 | Br-8 | Cl-8 | H-8 | M-8 | Br-8 | Cl-8 | |
| H (8) | 7.96 | 7.92 | 7.96 | 7.97 | 10.18 | 10.26 | 9.99 | 10.06 |
| H (7) | 7.81 | 7.76 | 7.79 | 7.80 | 9.67 | 9.03 | 9.15 | 9.31 |
| H (6) | 7.70 | 7.67 | 7.72 | 7.73 | 9.53 | 9.25 | 9.26 | 9.66 |
| H (5) | 7.92 | 7.86 | 7.95 | 7.95 | 9.29 | 9.52 | 10.15 | 9.88 |
| R-(3) | 5.64 | 2.05 | - | 7.04 | 3.25 | - | - | |
| NH | 7.53 | 6.60 | 7.46 | 7.43 | 6.08 | 5.96 | 6.37 | 6.08 |
| H(a) | 0.83 | 0.82 | 0.82 | 0.83 | 1.85 | 1.84 | 1.88 | 1.81 |
| H(b) | 1.24 | 1.25 | 1.24 | 1.27 | 2.09 | 2.16 | 2.11 | 2.15 |
| H(c) | 1.24 | 1.25 | 1.24 | 1.27 | 2.18 | 2.20 | 2.34 | 2.12 |
| H(d) | 1.24 | 1.25 | 1.24 | 1.27 | 2.31 | 2.29 | 2.21 | 2.29 |
| H(e) | 1.24 | 1.25 | 1.24 | 1.27 | 2.38 | 2.39 | 2.36 | 2.29 |
| H(f) | 1.24 | 1.25 | 1.24 | 1.27 | 2.39 | 2.33 | 2.50 | 2.33 |
| H(g) | 1.56 | 1.54 | 1.58 | 1.59 | 2.73 | 2.66 | 2.64 | 2.46 |
| H(h) | 3.14 | 3.51 | 3.70 | 3.72 | 3.95 | 4.52 | 4.86 | 4.67 |
