Table 1.
Bromophenol m/z = 455.9618 [M + H]+ | |||
---|---|---|---|
13C | 1H | HMBC a | |
1 | 174.38, C | ||
2 | 55.87, CH | 3.57, t (6.0) | 1, 3, 4 |
3 | 29.40, CH2 | 1.89, m | 1, 2, 4, 5 |
4 | 27.07, CH2 | 1.60, m | 3, 5 |
5 | 40.19, CH2 | 3.23, m; 3.11, m | 3, 4, 6 |
6 | 160.94, C | ||
1′ | 132.37, C | ||
2′ | 114.42, C | ||
3′ | 114.13, C | ||
4′ | 144.87, C | ||
5′ | 146.63, C | ||
6′ | 114.78, CH | 6.84, s | 2′, 4′, 7′ |
7′ | 46.010, CH2 | 4.28, d (16.0); 4.23, d (16.0) | 1′, 2′, 6 |
a HMBC correlations are stated from proton(s) to the indicated carbon.