Table 6.
Scalar couplings (Hz) and associated error (Hz) obtained by fitting the 1H spectra of DON in the various solvents.
| CDCl3 | DMSO-d6 | Acetone-d6 | THF-d4 | Methanol-d4 | |
|---|---|---|---|---|---|
| 3J(2,3) | 4.940 (±0.003) | 4.121 (±0.006) | 4.407 (±0.007) | 4.583 (±0.113) | 4.428 (±0.008) |
| 3J(3,3OH) | 4.080 (±0.003) | 4.112 (±0.006) | 4.085 (±0.007) | 4.416 (±0.108) | N.O. |
| 3J(3,4α) | 10.980 (±0.003) | 11.355 (±0.007) | 11.127 (±0.007) | 10.986 (±0.126) | 11.070 (±0.009) |
| 3J(3,4β) | 4.140 (±0.003) | 3.347 (±0.006) | 4.368 (±0.007) | 4.059 (±0.112) | 4.369 (±0.008) |
| 2J(4α,4β) | −14.870 (±0.003) | −14.040 (±0.006) | −14.466 (±0.006) | −14.479 (±0.101) | −14.512 (±0.009) |
| 3J(7,7OH) | 1.940 (±0.003) | 3.945 (±0.005) | 2.927 (±0.010) | 2.647 (±0.008) | N.O. |
| 3J(10,11) | 5.664 (±0.004) | 6.021 (±0.006) | 5.911 (±0.009) | 6.043 (±0.010) | 6.009(±0.006) |
| 4J(10,16) | −1.510 (±0.002) | −1.511 (±0.007) | −1.526 (±0.006) | −1.607 (±0.006) | −1.601(±0.007) |
| 2J(13α,13β) | 4.220 (±0.003) | 4.575 (±0.005) | 4.514 (±0.011) | 4.565 (±0.010) | 5.065 (±0.011) |
| 2J(15α,15β) | −12.032 (±0.004) | −11.230 (±0.006) | −11.961 (±0.120) | −11.600(±0.105) | −11.816(±0.012) |
| 3J(15α,15OH) | 5.670 (±0.003) | 5.251 (±0.006) | 5.696 (±0.138) | 5.285(±0.104) | N.O. |
| 3J(15β,15OH) | 4.820 (±0.003) | 4.739 (±0.005) | 4.819 (±0.094) | 4.767(±0.107) | N.O. |