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3-Acetyl-5-(3,4-dihydroxybenzyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID AwnpNXNQ7DH
InChI InChI=1S/C18H17N3O4/c1-11(22)17-19-14(9-12-7-8-15(23)16(24)10-12)18(25)21(20-17)13-5-3-2-4-6-13/h2-8,10,14,23-24H,9H2,1H3,(H,19,20)
InChIKey AIPHHGYWLJHLOK-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lBRKnWWgW0
Name 3-Acetyl-5-(3,4-dihydroxybenzyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-1-phenyl-5-protocatechuyl-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-5-(3,4-dihydroxybenzyl)-1-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Acetyl-5-[(3,4-dihydroxyphenyl)methyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one 5-[[3,4-bis(oxidanyl)phenyl]methyl]-3-ethanoyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
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Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-11(22)17-19-14(9-12-7-8-15(23)16(24)10-12)18(25)21(20-17)13-5-3-2-4-6-13/h2-8,10,14,23-24H,9H2,1H3,(H,19,20)
InChIKey AIPHHGYWLJHLOK-UHFFFAOYSA-N
Molecular Weight 339.351 g/mol
SMILES N1C(=NN(C(C1Cc1cc(c(cc1)O)O)=O)c1ccccc1)C(=O)C
SPLASH splash10-014i-9870000000-1327fb3781f5a11c3f06
Wiley ID 1475270