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4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
SpectraBase Compound ID 1U8LjkHWmOC
InChI InChI=1S/C18H14N4O2/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/h2-10,16H,1H3,(H,20,21)
InChIKey WNGVWNZKHMPFRL-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C18H14N4O2
Exact Mass 318.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxBUUQLnAKG
Name 4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
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Formula C18H14N4O2
InChI InChI=1S/C18H14N4O2/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/h2-10,16H,1H3,(H,20,21)
InChIKey WNGVWNZKHMPFRL-UHFFFAOYSA-N
Molecular Weight 318.336 g/mol
SMILES N1C(=NN(C(C1c1ccccc1)=O)c1ccc(cc1)C#N)C(=O)C
SPLASH splash10-01ox-9320000000-e2d35fe52cc0cbe11992
Synonyms 4-(3-acetyl-6-keto-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzonitrile 4-(3-acetyl-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzonitrile 4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-1,2,4-triazin-1(4H)-yl)benzonitrile 4-(3-Ethanoyl-6-oxidanylidene-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzenecarbonitrile
Wiley ID 1475738