Table 1. 1H (400 MHz CDCl3) and 13C NMR (100 MHz CDCl3) Spectroscopic Data for 1 and 2a.
No. | δC, mult. (1) | δH (J in Hz) (1) | δC, mult. (2) | δH (J in Hz) (2) |
---|---|---|---|---|
1 | 27.6, CH2 | 1.41, m; 1.64, m | 26.9, CH2 | 1.43, m; 1.72, m |
2 | 40.0, CH2 | 1.68, m; 1.84, m | 38.5, CH2 | 1.78, m; 1.89, m |
3 | 57.9, C | 60.9, C | ||
4 | 40.0, CH2 | 1.68, m; 1.84, m | 38.5, CH2 | 1.78, m; 1.89, m |
5 | 27.6, CH2 | 1.41, m; 1.64, m | 26.9, CH2 | 1.43, m; 1.72, m |
6 | 45.6, CH | 1.92, m | 45.0, CH | 1.96, m |
7 | 139.4, C | 138.8, C | ||
8 | 123.6, CH | 5.81, brd, (10.8) | 123.8, CH | 5.80, brd, (10.7) |
9 | 123.5, CH | 6.21, ddd, (1.2, 10.8, 15.3) | 123.4, CH | 6.20, ddd, (1.2, 10.7, 15.0) |
10 | 140.5, CH | 5.59, dd, (7.0, 15.3) | 140.7, CH | 5.59, dd, (7.1, 15.0) |
11 | 31.4, CH | 2.35, dqq, (7.0, 6.7, 6.7) | 31.4, CH | 2.35, dqq, (7.1, 6.8, 6.8) |
12 | 22.5, CH3 | 1.01, d, (6.7) | 22.5, CH3 | 1.01, d, (6.8) |
13 | 26.0, CH3 | 1.35, brs | 25.0, CH3 | 1.42, brs |
14 | 15.1, CH3 | 1.72, s | 15.2, CH3 | 1.72, s |
15 | 22.5, CH3 | 1.01, d, (6.7) | 22.5, CH3 | 1.01, d, (6.8) |
16 | 122.4, NCO (br) | 129.0, NCS |
All assignments are based on interpretation of extensive 1D and 2D NMR measurements