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3-(3-Acetyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro[1,2,4]triazin-5-yl)propionic acid, methyl ester
SpectraBase Compound ID 9Z69XZYpsVX
InChI InChI=1S/C15H17N3O4/c1-10(19)14-16-12(8-9-13(20)22-2)15(21)18(17-14)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,16,17)
InChIKey JODPKCBUPDQOAE-UHFFFAOYSA-N
Mol Weight 303.32 g/mol
Molecular Formula C15H17N3O4
Exact Mass 303.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgRLnlYtOAY
Name 3-(3-Acetyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro[1,2,4]triazin-5-yl)propionic acid, methyl ester
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Formula C15H17N3O4
InChI InChI=1S/C15H17N3O4/c1-10(19)14-16-12(8-9-13(20)22-2)15(21)18(17-14)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,16,17)
InChIKey JODPKCBUPDQOAE-UHFFFAOYSA-N
Molecular Weight 303.318 g/mol
SMILES N1C(=NN(C(C1CCC(=O)OC)=O)c1ccccc1)C(=O)C
SPLASH splash10-0006-9310000000-47fa268a34b2191173e7
Synonyms 3-(3-acetyl-6-keto-1-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)propionic acid methyl ester 3-(3-acetyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)propanoic acid methyl ester Methyl 3-(3-acetyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)propanoate Methyl 3-(3-acetyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)propanoate Methyl 3-(3-ethanoyl-6-oxidanylidene-1-phenyl-2,5-dihydro-1,2,4-triazin-5-yl)propanoate
Wiley ID 1475556