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3-[(N-Phenylamino)carbonyl]-4-oxo-[1,2,4]-triazino[4,3-a]benzimidazole
SpectraBase Compound ID Ja1IDadi3oi
InChI InChI=1S/C16H11N5O2/c22-14(17-10-6-2-1-3-7-10)13-15(23)21-12-9-5-4-8-11(12)18-16(21)20-19-13/h1-9H,(H,17,22)(H,18,20)
InChIKey WXQFSMVCAPFBSZ-UHFFFAOYSA-N
Mol Weight 305.3 g/mol
Molecular Formula C16H11N5O2
Exact Mass 305.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bayuwhzfl4w
Name 3-[(N-Phenylamino)carbonyl]-4-oxo-[1,2,4]-triazino[4,3-a]benzimidazole
Alternate Name(s) 4-oxo-N-phenyl-4,10-dihydro[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide 4-oxo-N-phenyl-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide 4-oxidanylidene-N-phenyl-1H-[1,2,4]triazino[4,3-a]benzimidazole-3-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C16H11N5O2
InChI InChI=1S/C16H11N5O2/c22-14(17-10-6-2-1-3-7-10)13-15(23)21-12-9-5-4-8-11(12)18-16(21)20-19-13/h1-9H,(H,17,22)(H,18,20)
InChIKey WXQFSMVCAPFBSZ-UHFFFAOYSA-N
Molecular Weight 305.297 g/mol
SMILES N(C(C=1C(N2C(=NN1)Nc1c2cccc1)=O)=O)c1ccccc1
SPLASH splash10-0006-9001000000-7010f79a72c418adc600
Source of Spectrum D9-336-417-4
Wiley ID 1551058