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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 LFGdstJxxma
Name 3-ACETYL-5-(3,4-DIHYDROXYBENZYL)-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 339.1215
SMILES Oc1ccc(CC2C(N(N=C(C(C)=O)N2)c2ccccc2)=O)cc1O
SPLASH splash10-014i-9870000000-98b127130e483a596e49
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany