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3-Pyrazolidineacetic acid, 2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
SpectraBase Compound ID LFPnNt9EOC1
InChI InChI=1S/C14H17N3O5/c1-2-22-14(19)8-11-7-13(18)15-16(11)9-10-5-3-4-6-12(10)17(20)21/h3-6,11H,2,7-9H2,1H3,(H,15,18)
InChIKey JSWQWTMLTVORCB-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C14H17N3O5
Exact Mass 307.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jps43uxCXUx
Name 3-Pyrazolidineacetic acid, 2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
CAS Registry Number 130064-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O5
InChI InChI=1S/C14H17N3O5/c1-2-22-14(19)8-11-7-13(18)15-16(11)9-10-5-3-4-6-12(10)17(20)21/h3-6,11H,2,7-9H2,1H3,(H,15,18)
InChIKey JSWQWTMLTVORCB-UHFFFAOYSA-N
Molecular Weight 307.306 g/mol
SMILES N1C(CC(N1Cc1c(N(=O)=O)cccc1)CC(=O)OCC)=O
SPLASH splash10-00dm-6920000000-5b7beac4a4964907f6eb
Source of Spectrum J-55-6043-26
Synonyms 5-[(ethoxycarbonyl)methyl]-1-(o-nitrobenzyl)pyrazolidin-3-one Ethyl[2-(2-nitrobenzyl)-5-oxo-3-pyrazolidinyl]acetate
Wiley ID 1308841