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3-Acetyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID 29qM7rZjUtl
InChI InChI=1S/C17H14N4O4/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/h2-10,15H,1H3,(H,18,19)
InChIKey LBPQOSILHPQVCS-UHFFFAOYSA-N
Mol Weight 338.32 g/mol
Molecular Formula C17H14N4O4
Exact Mass 338.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80bKSpQtg8a
Name 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
Alternate Name(s) 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-2,5-dihydro-1,2,4-triazin-6-one 3-Acetyl-1-(4-nitrophenyl)-5-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one 3-Ethanoyl-1-(4-nitrophenyl)-5-phenyl-2,5-dihydro-1,2,4-triazin-6-one
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Formula C17H14N4O4
InChI InChI=1S/C17H14N4O4/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/h2-10,15H,1H3,(H,18,19)
InChIKey LBPQOSILHPQVCS-UHFFFAOYSA-N
Molecular Weight 338.323 g/mol
SMILES N1C(=NN(C(C1c1ccccc1)=O)c1ccc(cc1)N(=O)=O)C(=O)C
SPLASH splash10-000x-9442000000-8152f105d0d17465065e
Wiley ID 1475736