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4,5-Dimethyl-1-(o-nitrobenzyl)pyrazolidin-3-one
SpectraBase Compound ID LvRndi34KfI
InChI InChI=1S/C12H15N3O3/c1-8-9(2)14(13-12(8)16)7-10-5-3-4-6-11(10)15(17)18/h3-6,8-9H,7H2,1-2H3,(H,13,16)
InChIKey RTHCXUFHCWNHDJ-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C12H15N3O3
Exact Mass 249.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YO22O8k2Ux
Name 4,5-Dimethyl-1-(o-nitrobenzyl)pyrazolidin-3-one
CAS Registry Number 130064-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O3
InChI InChI=1S/C12H15N3O3/c1-8-9(2)14(13-12(8)16)7-10-5-3-4-6-11(10)15(17)18/h3-6,8-9H,7H2,1-2H3,(H,13,16)
InChIKey RTHCXUFHCWNHDJ-UHFFFAOYSA-N
Molecular Weight 249.270 g/mol
SMILES N1C(C(C(N1Cc1c(N(=O)=O)cccc1)C)C)=O
SPLASH splash10-03k9-0910000000-f1a01a351ea71fb48baf
Source of Spectrum J-55-6043-24
Synonyms 4,5-Dimethyl-1-(2-nitrobenzyl)-3-pyrazolidinone
Wiley ID 1252066