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4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzoic acid, methyl ester
SpectraBase Compound ID AaP4swJj27x
InChI InChI=1S/C19H17N3O4/c1-12(23)17-20-16(13-6-4-3-5-7-13)18(24)22(21-17)15-10-8-14(9-11-15)19(25)26-2/h3-11,16H,1-2H3,(H,20,21)
InChIKey HAIORZHZAIBWFA-UHFFFAOYSA-N
Mol Weight 351.36 g/mol
Molecular Formula C19H17N3O4
Exact Mass 351.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJNSmO9L75Z
Name 4-(3-Acetyl-6-oxo-5-phenyl-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzoic acid, methyl ester
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Formula C19H17N3O4
InChI InChI=1S/C19H17N3O4/c1-12(23)17-20-16(13-6-4-3-5-7-13)18(24)22(21-17)15-10-8-14(9-11-15)19(25)26-2/h3-11,16H,1-2H3,(H,20,21)
InChIKey HAIORZHZAIBWFA-UHFFFAOYSA-N
Molecular Weight 351.362 g/mol
SMILES N1C(=NN(C(C1c1ccccc1)=O)c1ccc(cc1)C(OC)=O)C(=O)C
SPLASH splash10-0002-5595000000-a0753ea2e777759520e8
Synonyms 4-(3-acetyl-6-keto-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester 4-(3-acetyl-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester Methyl 4-(3-acetyl-6-oxo-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzoate Methyl 4-(3-acetyl-6-oxo-5-phenyl-5,6-dihydro-1,2,4-triazin-1(4H)-yl)benzoate Methyl 4-(3-ethanoyl-6-oxidanylidene-5-phenyl-2,5-dihydro-1,2,4-triazin-1-yl)benzoate
Wiley ID 1475735