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1-Pyrazolidinecarboxylic acid, 3-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
SpectraBase Compound ID 9dmPJ0jEz1I
InChI InChI=1S/C14H17N3O5/c1-3-22-14(19)16-13(18)8-10(2)15(16)9-11-6-4-5-7-12(11)17(20)21/h4-7,10H,3,8-9H2,1-2H3
InChIKey QPZGDQSBGNJKHH-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 2aBVv3aCt6u
Name 1-Pyrazolidinecarboxylic acid, 3-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
CAS Registry Number 130065-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17N3O5
InChI InChI=1S/C14H17N3O5/c1-3-22-14(19)16-13(18)8-10(2)15(16)9-11-6-4-5-7-12(11)17(20)21/h4-7,10H,3,8-9H2,1-2H3
InChIKey QPZGDQSBGNJKHH-UHFFFAOYSA-N
Molecular Weight 307.306 g/mol
SMILES C(N1N(C(CC1C)=O)C(=O)OCC)c1c(N(=O)=O)cccc1
SPLASH splash10-004i-9610000000-803bb739cd37d22f1dae
Source of Spectrum J-55-6044-32
Synonyms 2-(ethoxycarbonyl)-5-methyl-1-(o-nitrobenzyl)pyrazolidin-3-one Ethyl 3-methyl-2-(2-nitrobenzyl)-5-oxo-1-pyrazolidinecarboxylate
Wiley ID 1308840