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. 2022 Sep 6;27(18):5770. doi: 10.3390/molecules27185770

Table 1.

1H and 13C chemical shift values (δ, ppm) of the investigated 4-methylaminorex derivatives in CDCl3 at 25 °C with TMS as internal standard, J-values in Hz.

Position 4B-MAR 4C-MAR 4F-MAR
δC δH δC δH δC δH
2 159.3 - 159.1 - 158.9 -
4 68.6 3.87 (p, 6.4) 68.7 3.88 (p, 6.9) 68.7 3.91 (p, 6.8)
5 88.2 4.87 (d, 6.8) 88.2 4.88 (d, 7.2) 88.5 4.90 (d, 7.2)
2-NH2 - 4.82 (brs) - 4.54 (brs) - 4.34 (brs)
4-CH3 21.6 1.32 (d, 7.1) 21.6 1.32 (d, 6.4) 21.6 1.32 (d, 6.6)
1′ 139.1 - 138.5 - 135.7 (d, 3.2) -
2′/6′ 127.3 7.20 (d, 8.5) 127.1 7.26 (d, 8.6) 127.6 (d, 8.3) 7.31 (dd, 8.8, 5.3)
3′/5′ 131.9 7.50 (d, 8.5) 128.9 7.34 (d, 8.6) 115.7 (d, 21.6) 7.03 (t, 8.8)
4′ 122.2 - 134.1 - 162.7 (d, 246.8) -