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3-[(4'-Chlororobenzyl)amino]-4-oxo-[1,2,4]-triazino[4,3-a]benzimidazole
SpectraBase Compound ID LFa4irqLhP7
InChI InChI=1S/C16H12ClN5O/c17-11-7-5-10(6-8-11)9-18-14-15(23)22-13-4-2-1-3-12(13)19-16(22)21-20-14/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey RUQQTYRUXJYUSC-UHFFFAOYSA-N
Mol Weight 325.76 g/mol
Molecular Formula C16H12ClN5O
Exact Mass 325.073038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I01jyvDM361
Name 3-[(4'-Chlororobenzyl)amino]-4-oxo-[1,2,4]-triazino[4,3-a]benzimidazole
Alternate Name(s) 3-[(4-chlorophenyl)methylamino]-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H12ClN5O
InChI InChI=1S/C16H12ClN5O/c17-11-7-5-10(6-8-11)9-18-14-15(23)22-13-4-2-1-3-12(13)19-16(22)21-20-14/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey RUQQTYRUXJYUSC-UHFFFAOYSA-N
Molecular Weight 325.759 g/mol
SMILES N(C=1C(N2C(=NN1)Nc1c2cccc1)=O)Cc1ccc(cc1)Cl
SPLASH splash10-004i-0903000000-4b10b5cdb7d340559427
Source of Spectrum D9-336-417-3
Wiley ID 1551059