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2,2'-{1H-1,2,4-Triazole-3,5-diylbis[nitrilo(E)methylylidene]}bis(4-bromophenol)
SpectraBase Compound ID 2HOtqXl5zIr
InChI InChI=1S/C16H11Br2N5O2/c17-11-1-3-13(24)9(5-11)7-19-15-21-16(23-22-15)20-8-10-6-12(18)2-4-14(10)25/h1-8,24-25H,(H,21,22,23)/b19-7+,20-8+
InChIKey VPNJATXIAUIIMM-OKXCLTPOSA-N
Mol Weight 465.11 g/mol
Molecular Formula C16H11Br2N5O2
Exact Mass 462.927951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJeDzxbpdyX
Name 2,2'-{1H-1,2,4-Triazole-3,5-diylbis[nitrilo(E)methylylidene]}bis(4-bromophenol)
Alternate Name(s) 2,2'-((1E,1'E)-((1H-1,2,4-triazole-3,5-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-bromophenol)
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Formula C16H11Br2N5O2
InChI InChI=1S/C16H11Br2N5O2/c17-11-1-3-13(24)9(5-11)7-19-15-21-16(23-22-15)20-8-10-6-12(18)2-4-14(10)25/h1-8,24-25H,(H,21,22,23)/b19-7+,20-8+
InChIKey VPNJATXIAUIIMM-OKXCLTPOSA-N
Literature Reference DOI 10.1002/aoc.1590
Molecular Weight 465.105 g/mol
SMILES Oc1ccc(cc1\C=N\c1nc(\N=C\c2cc(ccc2O)Br)n[nH]1)Br
SPLASH splash10-0udi-0000900000-f4dea9a81466f4c62e16
Source of Spectrum AOC-24-123-L3
Wiley ID 1768475