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[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 3-methyl-7-(4-nitrophenyl)-8-phenyl-
SpectraBase Compound ID JhHuKFrYsR1
InChI InChI=1S/C17H12N6O3/c1-11-16(24)22-17(19-18-11)21(13-5-3-2-4-6-13)15(20-22)12-7-9-14(10-8-12)23(25)26/h2-10H,1H3
InChIKey BGRPGVCZQDHECM-UHFFFAOYSA-N
Mol Weight 348.32 g/mol
Molecular Formula C17H12N6O3
Exact Mass 348.097088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChCOZ0pGdLq
Name [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(8H)-one, 3-methyl-7-(4-nitrophenyl)-8-phenyl-
CAS Registry Number 109107-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N6O3
InChI InChI=1S/C17H12N6O3/c1-11-16(24)22-17(19-18-11)21(13-5-3-2-4-6-13)15(20-22)12-7-9-14(10-8-12)23(25)26/h2-10H,1H3
InChIKey BGRPGVCZQDHECM-UHFFFAOYSA-N
Molecular Weight 348.322 g/mol
SMILES C=12N(N=C(N2c2ccccc2)c2ccc(N(=O)=O)cc2)C(C(=NN1)C)=O
SPLASH splash10-002b-0059000000-9f4f02f44d0d7d5174bd
Source of Spectrum KC-1986-2046-29
Synonyms 3-Methyl-7-(4-nitrophenyl)-8-phenyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one 7-(p-nitrophenyl)-8-phenyl-3-methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(8H)-one
Wiley ID 1340430