TABLE 3.
1H and 13C NMR data for 2-amino-5-chlorophenol and 5-chloropicolinic acid in CD3OD
| 2-Amino-5-chlorophenol
|
5-Chloropicolinic acid
|
|||||
|---|---|---|---|---|---|---|
| 1H chemical shifts (ppm) | 1H-1H coupling constants (Hz) | 13C chemical shifts (ppm) | 1H chemical shifts (ppm) | 1H-1H coupling constants (Hz) | 13C chemical shifts (ppm) | One-bond 13C-1H coupling constants (Hz)a |
| H-3 6.70 | (3-4) 8.3 | C-1 147.2 | H-3 8.18 | (3-4) 8.4 | C-2 147.6 | |
| H-4 6.64 | (4-6) 2.3 | C-2 135.5 | H-4 8.08 | (3-6) 0.7 | C-3 127.3 | 168.0 |
| H-6 6.72 | C-3 117.6 | H-6 8.70 | (4-6) 2.4 | C-4 138.7 | 170.5 | |
| C-4 120.5 | C-5 137.1 | |||||
| C-5 123.8 | C-6 149.4 | 186.3 | ||||
| C-6 115.4 | C-7 166.6 | |||||
The values of the one-bond 13C-1H coupling constants were estimated from the residual cross peaks in the 1H-detected long-range 13C-1H correlation.