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3-(benzylamino)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
SpectraBase Compound ID Bc1jpbtFPto
InChI InChI=1S/C16H13N5O/c22-15-14(17-10-11-6-2-1-3-7-11)19-20-16-18-12-8-4-5-9-13(12)21(15)16/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKey DEYMVCLVKKUNHO-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C16H13N5O
Exact Mass 291.11201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1L35VSBHohJ
Name 3-(benzylamino)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Alternate Name(s) 3-[(phenylmethyl)amino]-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H13N5O
InChI InChI=1S/C16H13N5O/c22-15-14(17-10-11-6-2-1-3-7-11)19-20-16-18-12-8-4-5-9-13(12)21(15)16/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKey DEYMVCLVKKUNHO-UHFFFAOYSA-N
Molecular Weight 291.314 g/mol
SMILES N(C=1C(N2C(=NN1)Nc1c2cccc1)=O)Cc1ccccc1
SPLASH splash10-0006-9030000000-7c38f96d9ba916dfed1b
Source of Spectrum D9-336-417-1
Wiley ID 1551061