For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FALzvbOVoq9
Name 3-ACETYL-1-(4-NITROPHENYL)-5-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 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 338.1012
SMILES N1C(C(N(N=C1C(C)=O)c1ccc(N(=O)=O)cc1)=O)c1ccccc1
SPLASH splash10-000x-9442000000-4fd736cde280012f1c3c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany