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

*Links on SpectraBase are not permalinks.
3-Pyrazolidinone, 2-acetyl-4-methyl-1-[(2-nitrophenyl)methyl]-, (.+-.)-
SpectraBase Compound ID COfsy0kIFOi
InChI InChI=1S/C13H15N3O4/c1-9-7-14(15(10(2)17)13(9)18)8-11-5-3-4-6-12(11)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey JKPCFZLMKKIGFK-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C13H15N3O4
Exact Mass 277.106256 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 93eqkIkZPpr
Name 3-Pyrazolidinone, 2-acetyl-4-methyl-1-[(2-nitrophenyl)methyl]-, (.+-.)-
CAS Registry Number 130064-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4
InChI InChI=1S/C13H15N3O4/c1-9-7-14(15(10(2)17)13(9)18)8-11-5-3-4-6-12(11)16(19)20/h3-6,9H,7-8H2,1-2H3
InChIKey JKPCFZLMKKIGFK-UHFFFAOYSA-N
Molecular Weight 277.280 g/mol
SMILES C1N(N(C(C1C)=O)C(=O)C)Cc1c(N(=O)=O)cccc1
SPLASH splash10-00kr-2490000000-bf9e76bdd20a5f867e81
Source of Spectrum J-55-6043-27
Synonyms 2-Acetyl-4-methyl-1-(2-nitrobenzyl)-3-pyrazolidinone 2-Acetyl-4-methyl-1-(o-nitrobenzyl)pyrazolidin-3-one
Wiley ID 1280877