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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 Ibj9yP5i5Sd
Name 3-ACETYL-1-(4-NITROPHENYL)-5-PHENYL-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 336.0856
SMILES C=1(c2ccccc2)C(=O)N(c2ccc(N(=O)=O)cc2)N=C(C(C)=O)N1
SPLASH splash10-0006-9302000000-7631fc00001c07421d87
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany