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4-(3-Acetyl-6-oxo-5-phenyl-6H-[1,2,4]triazin-1-yl)benzonitrile
SpectraBase Compound ID 2plMANbTAXh
InChI InChI=1S/C18H12N4O2/c1-12(23)17-20-16(14-5-3-2-4-6-14)18(24)22(21-17)15-9-7-13(11-19)8-10-15/h2-10H,1H3
InChIKey ZZDQQURQFSXFPM-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C18H12N4O2
Exact Mass 316.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7w8DhfHRyJi
Name 4-(3-Acetyl-6-oxo-5-phenyl-6H-[1,2,4]triazin-1-yl)benzonitrile
Alternate Name(s) 4-(3-acetyl-6-keto-5-phenyl-1,2,4-triazin-1-yl)benzonitrile 4-(3-Acetyl-6-oxo-5-phenyl-1,2,4-triazin-1(6H)-yl)benzonitrile 4-(3-acetyl-6-oxo-5-phenyl-1,2,4-triazin-1-yl)benzonitrile 4-(3-Ethanoyl-6-oxidanylidene-5-phenyl-1,2,4-triazin-1-yl)benzenecarbonitrile
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Formula C18H12N4O2
InChI InChI=1S/C18H12N4O2/c1-12(23)17-20-16(14-5-3-2-4-6-14)18(24)22(21-17)15-9-7-13(11-19)8-10-15/h2-10H,1H3
InChIKey ZZDQQURQFSXFPM-UHFFFAOYSA-N
Molecular Weight 316.320 g/mol
SMILES C(#N)c1ccc(N2N=C(N=C(C2=O)c2ccccc2)C(=O)C)cc1
SPLASH splash10-0006-9300000000-f0743704ea749742fa45
Wiley ID 1475716