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4-(3-Acetyl-6-oxo-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
SpectraBase Compound ID KOb6H0rXzZD
InChI InChI=1S/C12H10N4O2/c1-8(17)12-14-7-11(18)16(15-12)10-4-2-9(6-13)3-5-10/h2-5H,7H2,1H3,(H,14,15)
InChIKey UPPJUUHQKZTBCX-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwvLYMKzK1y
Name 4-(3-Acetyl-6-oxo-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzonitrile
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Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c1-8(17)12-14-7-11(18)16(15-12)10-4-2-9(6-13)3-5-10/h2-5H,7H2,1H3,(H,14,15)
InChIKey UPPJUUHQKZTBCX-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
SMILES N1C(=NN(C(C1)=O)c1ccc(cc1)C#N)C(=O)C
SPLASH splash10-0006-9120000000-9f9f05352a1060d72eba
Synonyms 4-(3-acetyl-6-keto-2,5-dihydro-1,2,4-triazin-1-yl)benzonitrile 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzonitrile 4-(3-Acetyl-6-oxo-5,6-dihydro-1,2,4-triazin-1(4H)-yl)benzonitrile 4-(3-Ethanoyl-6-oxidanylidene-2,5-dihydro-1,2,4-triazin-1-yl)benzenecarbonitrile
Wiley ID 1475727