Positiona Zolmitriptan Isomeric Peak-1 Isomeric Peak-2 Isomeric Peak-3 Isomeric Peak-4
1H, (ppm)(Hz) 13C DEPT 1H, (ppm)(Hz) 13C DEPT 1H, (ppm)(Hz) 13C DEPT 1H, (ppm)(Hz) 13C DEPT 1H, (ppm)(Hz) 13C DEPT
1 1H, 10.68 (brs) - - 1H, 10.87 (s) - - 1H, 11.06(s) - - 1H, 10.58(s) - - 1H, 10.72(s) - -
2 1H, 7.10 (dj=2.08) 122.97 CH 1H, 7.00-7.06(m) 122.64 CH - 134.28 Q 1H, 7.10(d) 122.76 CH 1H, 7.15(d) 123.19 CH
3 - 112.72 Q - 112.95 Q - 109.45 Q - 112.92 Q - 112.42 Q
4 1H, 7.34(s) 119.13 CH - 123.7 Q 1H, 7.38-7.40(m) 118.9 CH 1H, 7.36-7.40(m) 118.19 CH 1H, 7.44(s) 119.48 CH
5 - 126.17 Q - 135.26 Q - 128.96 Q - 128.5 Q - 135.08 Q
6 1H, 6.91-6.93(dd) 122.86 CH 1H, 7.00-7.06(m) 123.96 CH 1H, 6.97(d) 123.15 CH 1H, 7.00(s) 123.54 CH - 123.83 Q
7 1H, 7.24 (d,j=8.24) 111.61 CH 1H,7.20-7.34(m) 110.82 CH 1H, 7.27(d) 111.02 CH - 124.59 Q 1H, 7.09(s) 112.48 CH
8 - 135.39 Q - 135.62 Q - 134.96 Q - 135.42 Q - 135.08 Q
9 - 127.79 Q - 125.56 Q - 126.35 Q - 126.61 Q - 126.76 Q
10 4H, 2.75-2.91(m) 40.75 CH2 2H, 2.52-2.93(m) 40.35 CH2 2H, 2.79-2.97(m) 40.54 CH2 2H, 2.80-2.95(m) 40.41 CH2 2H, 2.70-3.01(m) 40.12 CH2
11 3H, 4.00-4.249m) 53.37 CH 1H, 3.79-4.39(m) 53.39 CH 1H, 4.02-4.33(m) 53.09 CH 1H, 4.04-4.34(m) 53 CH 1H, 3.69-4.34(m) 52.47 CH
12 3H, 4.00-4.24(m) 68.5 CH2 2H, 3.79-4.39(m) 68.37 CH2 2H, 4.02-4.33(m) 67.97 CH2 2H, 4.04-4.34(m) 68.04 CH2 2H, 3.69-4.34(m) 68.18 CH2
14 - 159-26 -C=O - 158.47 -C=O - 158.59 -C=O - 158.58 -C=O - 158.45 -C=O
16 1H, 7.75(s) - - 1H, 7.52(s) - - -1H, 7.76(s) - - 1H, 7.80(s) - - 1H, 7.80(s) - -
17 2H, 2.48-2.52(m) - - 2H, 1.80-2.07(m) 23.96 CH2 2H, 2.79-2.97(m) 22.7 CH2 2H, 2.80-2.95(m) 22.98 CH2 2H, 2.70-3.01(m) 23.01 CH2
18 4H, 2.75-2.91(m) - - 2H, 1.80-2.07(m) 61.38 CH2 2H, 2.50-2.53(m) 59.89 CH2 2H, 2.53(t) 59.85 CH2 2H, 2.54(t) 59.99 CH2
20 6H, 2.21(s0 - - 3H, 1.80-2.07(m) 44.65 CH3 3H, 2.23(s) 45.12 CH3 3H, 2.23(s) 45.12 CH3 3H, 2.24(s) 45.12 CH3
21 6H, 2.21(s) - - 3H, 1.80-2.07(m) 44.65 CH3 3H, 2.23(s) 45.12 CH3 3H, 2.23(s) 45.12 CH3 3H, 2.24(s) 45.12 CH3
22 - - - - 138.06 Q 1H, 7.38-7.40(m) 129.75 CH 1H, 7.36-7.40(m) 129.83 CH 1H, 7.31(d) 129.15 Q
23 - - - 1H, 7.20-7.34(m) 129-84 CH 1H, 7.56(d) 127.48 CH 1H, 7.59(d) 128.21 CH 1H, 7.25(d) 129.4 CH
24 - - - 1H, 7.20-7.34(m) 128.27 CH - 135.65 Q - 137.05 Q - 140.69 CH
25 - - - 1H, 7.20-7.34(m) 128.87 CH 1H, 7.56(d) 127.48 CH 1H, 7.59(d) 128.21 CH 1H, 7.25(d) 129.4 Q
26 - - - 1H, 7.20-7.34(m) 130.32 CH 1H, 7.38-7.40(m) 129.75 CH 1H, 7.36-7.40(m) 129.83 CH 1H, 7.31(d) 129.15 CH
27 - - - - 133.48 Q - 131.24 Q - 132.25 Q - 134.61 CH
28 - - - 2H, 2.52-2.93(m) 37.53 CH2 2H, 2.79-2.97(m) 39.92 CH2 2H, 2.80-2.95(m) 39.92 CH2 2H, 2.70-3.01(m) 38.3 CH2
29 - - - 1H, 3.79-4.39(m) 52.85 CH 1H, 4.02-4.33(m) 52.36 CH 1H, 4.04-4.34(m) 52.53 CH 1H, 3.69-4.34(m) 52.36 CH
30 - - - 2H, 3.79-4.39(m) 68.49 CH2 2H, 4.02-4.33(m) 68.03 CH2 2H, 4.04-4.34(m) 68.04 CH2 2H, 3.69-4.34(m) 68.18 CH2
32 - - - - 158.79 -C=O - -158.64 -C=O - 158.69 -C=O - 158.74 -C=O
34 - - - 1H, 7.67(s) - - -1H, 7.83(s) - - 1H, 7.82(s) - - 1H, 7.54(s) - -
s: singlet; d: doublet; brs: broad singlet; J: coupling constant; Q: quaternary carbon.
aRefer structures for numbering (Figure 1)
Table 1: 1H, 13C NMR, and DEPT data of Zolmitriptan, Impurity-1, Impurity-2, Impurity-3, Impurity-4.