NMR | Imatinib | M2 | ||||
---|---|---|---|---|---|---|
δH ppm (Multiplicitya) | δC ppm | δH ppm (Multiplicitya) | δC ppm | |||
1, 4 | 2.53 (b) | 54.2 | 3.29 (b) | 52.8 | ||
2, 3 | 2.53 (b) | 52.2 | 2.89 (b) | 49.4 | ||
5 | 2.30 (s) | 44.4 | 2.85 (s) | 42.5 | ||
6 | 3.62 (s) | 60.9 | 3.86 (s) | 60.5 | ||
8, 12 | 7.49 (d, 8.2) | 129.1 | 7.56 (d, 8.0) | 130.0 | ||
9, 11 | 7.92 (d,d, 1.8, 8.2) | 127.2 | 7.98 (d, 8.0) | 127.6 | ||
15 | 7.41 (d,d, 8.2, 2.0) | 117.2 | 7.30 (m) | 116.9 | ||
16 | 7.26 (d, 8.3) | 130.1 | 7.30 (m) | 130.5 | ||
19 | 8.21 (d, 1.7) | 117.0 | 8.49 (s) | 115.5 | ||
20 | 2.32 (s) | 16.4 | 2.37 (s) | 16.4 | ||
22 | 8.47 (d, 5.2) | 158.7 | 8.65 (d, 5.0) | 160.3 | ||
23 | 7.36 (d, 5.2) | 107.2 | 7.54 (d, 5.2) | 108.4 | ||
26 | 9.28 (d, 2.0) | 147.4 | 9.68 (b) | 139.5 | ||
27 | 8.64 (d,d, 4.8, 1.5) | 150.2 | 9.37 (d, 4.8) | 140.8 | ||
28 | 7.55 (d,d, 7.9, 4.9) | 123.9 | 8.31 (b) | 128.8 | ||
29 | 8.60 (d,t, 8.0, 1.8) | 135.3 | 9.23 (d, 8.0) | 144.5 | ||
1′ | 6.22 (d, 5.4) | 100.5 | ||||
2′ | 4.51 (m) | 77.9 | ||||
3′ | 4.42 (m) | 70.8 | ||||
4′ | NI | NI | ||||
5′ | 4.28, 4.40 (m) | 64.9 | ||||
1″ | 6.14 (d, 4.0) | 86.1 | ||||
2″ | 4.19 (m) | 83.7 | ||||
3″ | 4.60 (m) | 70.3 | ||||
4″ | 5.04 (m) | 77.1 | ||||
5″ | 4.17 (m) | 65.3 | ||||
A | 8.10 (s) | 151.4 | ||||
B |
|
| 8.39 (s) | 173.1 |
NI, not identified
↵ a NMR acquired in CD3OD or CD3OD with D2O, solvent signal appears at δH 3.32/δC 47.9 ppm. Multiplicity: b, broad; s, singlet; d, doublet; t, triplet; m, multiple; d,d, doublet of doublet; d,t, doublet of triplet