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3-Acetyl-1-(4-nitrophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID LgsMRFlwdJE
InChI InChI=1S/C17H12N4O4/c1-11(22)16-18-15(12-5-3-2-4-6-12)17(23)20(19-16)13-7-9-14(10-8-13)21(24)25/h2-10H,1H3
InChIKey GZUDBDUXBZCUEC-UHFFFAOYSA-N
Mol Weight 336.31 g/mol
Molecular Formula C17H12N4O4
Exact Mass 336.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7I0rsVJ4afZ
Name 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazin-6(1H)-one 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazin-6-one 3-Ethanoyl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazin-6-one
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Formula C17H12N4O4
InChI InChI=1S/C17H12N4O4/c1-11(22)16-18-15(12-5-3-2-4-6-12)17(23)20(19-16)13-7-9-14(10-8-13)21(24)25/h2-10H,1H3
InChIKey GZUDBDUXBZCUEC-UHFFFAOYSA-N
Molecular Weight 336.307 g/mol
SMILES c1(N(=O)=O)ccc(N2N=C(N=C(C2=O)c2ccccc2)C(=O)C)cc1
SPLASH splash10-0006-9302000000-3be5ae408e184e3649ae
Wiley ID 1475714