Table 1. NMR Spectroscopic Data for Compounds 1, 3, and 4 in D2O at 600 MHz (1H) and 150 MHz (13C).
compound 1 |
compound 3 |
compound 4 |
|||||||
---|---|---|---|---|---|---|---|---|---|
position | δC, type (mult; J in Hz) | δH (mult; J in Hz) | HMBC | δC, type (mult; J in Hz) | δH (mult; J in Hz) | HMBC | δC, type (mult; J in Hz) | δH (mult; J in Hz) | HMBC |
1 | 27.1, CH2 (d; 133.0) | 1.79 (m) | 2, P | 68.6, CH (d; 148.5) | 3.62 (m) | 2, P | 59.4, CH (d; 136.5) | 4.31 (d; 16.0) | 2, P, N |
2 | 34.4, CH2 | 3.26 (m) | 1, 3, P | 42.4, CH2 | a 3.47, b 3.21 (m) | 1, 3, P | 120.7, CN | ||
3 | 173.9, qC | 174.3, qC | |||||||
4 | 21.8, CH3 | 1.85 (s) | 3 | 22.0, CH3 | 1.91 (s) | 3 | |||
P | 21.7 (m) | 15.5 (m) | 7.6 (d; 16.0) | ||||||
N | –137.9 |