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. 2014 May 13;12(5):2802–2815. doi: 10.3390/md12052802

Table 1.

NMR data (600 MHz and 125 MHz in CDCl3, Supplementary Table S1 and Figures S1–S14) for 4′-((3,4,5-tribromo-1H-pyrrol-2-yl)methyl)phenol (1).

Position δC, mult. δH (J Hz) gCOSY gHMBC a
NH - - - -
2 131.1, qC - - -
3 97.8, qC - - -
4 100.0, qC - - -
5 100.0, qC - - -
6 32.5, CH2 3.87, s - 2, 3, 7, 8, 12
7 128.7, qC - - -
8 129.9, CH 7.05, d (8.3) 9 2 b, 6, 7, 9, 10, 11, 12
9 115.8, CH 6.81, d (8.3) 8 8, 10, 11, 12
10 155.1, qC - - -
OH - - - -
11 115.8, CH 6.81, d (8.3) 12 8, 10, 11, 12
12 129.9, CH 7.05, d (8.3) 11 6, 8, 9, 10, 11

a (nJCH = 7.5 Hz), b (nJCH = 12 Hz).