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2,2'-{1H-1,2,4-Triazole-3,5-diylbis[nitrilo(E)methylylidene]}bis(4-nitrophenol)
SpectraBase Compound ID 3L5TcDoQLmY
InChI InChI=1S/C16H11N7O6/c24-13-3-1-11(22(26)27)5-9(13)7-17-15-19-16(21-20-15)18-8-10-6-12(23(28)29)2-4-14(10)25/h1-8,24-25H,(H,19,20,21)/b17-7+,18-8+
InChIKey OIUJAIVPKWAXHO-ZEELXFFVSA-N
Mol Weight 397.31 g/mol
Molecular Formula C16H11N7O6
Exact Mass 397.077081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gZYBARRajJ
Name 2,2'-{1H-1,2,4-Triazole-3,5-diylbis[nitrilo(E)methylylidene]}bis(4-nitrophenol)
Alternate Name(s) 2,2'-((1E,1'E)-((1H-1,2,4-triazole-3,5-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-nitrophenol)
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Formula C16H11N7O6
InChI InChI=1S/C16H11N7O6/c24-13-3-1-11(22(26)27)5-9(13)7-17-15-19-16(21-20-15)18-8-10-6-12(23(28)29)2-4-14(10)25/h1-8,24-25H,(H,19,20,21)/b17-7+,18-8+
InChIKey OIUJAIVPKWAXHO-ZEELXFFVSA-N
Literature Reference DOI 10.1002/aoc.1590
Molecular Weight 397.307 g/mol
SMILES [nH]1c(\N=C\c2cc(ccc2O)[N+](=O)[O-])nc(\N=C\c2cc(ccc2O)[N+](=O)[O-])n1
SPLASH splash10-001j-0219000000-045b65793d0fdab83f2c
Source of Spectrum AOC-24-123-L5
Wiley ID 1768477