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[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 3-methyl-7-(4-nitrophenyl)-8-[(phenylmethylene)amino]-
SpectraBase Compound ID 3VsTyiRwLzv
InChI InChI=1S/C18H13N7O3/c1-12-17(26)24-18(21-20-12)23(19-11-13-5-3-2-4-6-13)16(22-24)14-7-9-15(10-8-14)25(27)28/h2-11H,1H3/b19-11+
InChIKey BSTOGDNVODHOLI-YBFXNURJSA-N
Mol Weight 375.35 g/mol
Molecular Formula C18H13N7O3
Exact Mass 375.107987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGkCOyKKqOq
Name [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 3-methyl-7-(4-nitrophenyl)-8-[(phenylmethylene)amino]-
CAS Registry Number 109072-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N7O3
InChI InChI=1S/C18H13N7O3/c1-12-17(26)24-18(21-20-12)23(19-11-13-5-3-2-4-6-13)16(22-24)14-7-9-15(10-8-14)25(27)28/h2-11H,1H3/b19-11+
InChIKey BSTOGDNVODHOLI-YBFXNURJSA-N
Molecular Weight 375.348 g/mol
SMILES C=12N(N=C(N2\N=C\c2ccccc2)c2ccc(N(=O)=O)cc2)C(C(=NN1)C)=O
SPLASH splash10-00di-0392000000-a2b3a05561f8e298ed10
Source of Spectrum KC-1986-2048-54
Synonyms 3-Methyl-7-(4-nitrophenyl)-8-{[(E)-phenylmethylidene]amino}[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one 7-(4-Nitrophenyl)-8-benzylideneamino-3-methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one
Wiley ID 1357119