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4-(3-Acetyl-6-oxo-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzoic acid, methyl ester
SpectraBase Compound ID 46QbfOpMxL8
InChI InChI=1S/C13H13N3O4/c1-8(17)12-14-7-11(18)16(15-12)10-5-3-9(4-6-10)13(19)20-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey ZSJQPUHDEJSMCL-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6I7ZcDG87OG
Name 4-(3-Acetyl-6-oxo-5,6-dihydro-4H-[1,2,4]triazin-1-yl)benzoic acid, methyl ester
Alternate Name(s) 4-(3-acetyl-6-keto-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzoic acid methyl ester Methyl 4-(3-acetyl-6-oxo-2,5-dihydro-1,2,4-triazin-1-yl)benzoate Methyl 4-(3-acetyl-6-oxo-5,6-dihydro-1,2,4-triazin-1(4H)-yl)benzoate Methyl 4-(3-ethanoyl-6-oxidanylidene-2,5-dihydro-1,2,4-triazin-1-yl)benzoate
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Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-8(17)12-14-7-11(18)16(15-12)10-5-3-9(4-6-10)13(19)20-2/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey ZSJQPUHDEJSMCL-UHFFFAOYSA-N
Molecular Weight 275.264 g/mol
SMILES N1C(=NN(C(C1)=O)c1ccc(cc1)C(OC)=O)C(=O)C
SPLASH splash10-0006-9230000000-77ffd936a831022f2c77
Wiley ID 1475724