Table 5 Calculated δ(cal)13C chemical shifts of the title compounds
C | FPT | NPT | CPT | |||
|---|---|---|---|---|---|---|
6-311++G(d,p) | 6-311++G(2d,2p) | 6-311++G(d,p) | 6-311++G(2d,2p) | 6-311++G(d,p) | 6-311++G(2d,2p) | |
2 | 130.4 | 129.8 | 133.9 | 133.0 | 132.9 | 132.2 |
3 | 148.1 | 148.9 | 146.7 | 147.6 | 147.1 | 148.0 |
4 | 130.5 | 131.1 | 130.1 | 130.7 | 130.0 | 130.6 |
5 | 136.2 | 136.1 | 137.2 | 137.3 | 137.1 | 137.1 |
6 | 139.4 | 139.7 | 149.0 | 149.4 | 146.4 | 146.9 |
7 | 133.2 | 133.2 | 130.6 | 130.8 | 131.2 | 131.1 |
8 | 120.1 | 120.2 | 129.6 | 130.3 | 138.9 | 138.8 |
9 | 171.1 | 171.6 | 153.1 | 153.6 | 115.9 | 116.4 |
10 | 119.8 | 119.9 | 129.6 | 130.1 | 138.8 | 138.7 |
11 | 133.0 | 133.0 | 130.5 | 130.8 | 131.2 | 131.1 |
12a | --- | --- | --- | 122.1 | 122.9 | |