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3-Pyrazolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
SpectraBase Compound ID 2HBbNRbUiZI
InChI InChI=1S/C19H25N3O7/c1-5-28-17(24)11-14-10-16(23)21(18(25)29-19(2,3)4)20(14)12-13-8-6-7-9-15(13)22(26)27/h6-9,14H,5,10-12H2,1-4H3
InChIKey GKBWWMNUULSTTR-UHFFFAOYSA-N
Mol Weight 407.42 g/mol
Molecular Formula C19H25N3O7
Exact Mass 407.16925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFaKxsprDHa
Name 3-Pyrazolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-2-[(2-nitrophenyl)methyl]-5-oxo-, ethyl ester, (.+-.)-
CAS Registry Number 130065-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25N3O7
InChI InChI=1S/C19H25N3O7/c1-5-28-17(24)11-14-10-16(23)21(18(25)29-19(2,3)4)20(14)12-13-8-6-7-9-15(13)22(26)27/h6-9,14H,5,10-12H2,1-4H3
InChIKey GKBWWMNUULSTTR-UHFFFAOYSA-N
Molecular Weight 407.423 g/mol
SMILES C1(N(N(C(C1)=O)C(OC(C)(C)C)=O)Cc1c(N(=O)=O)cccc1)CC(=O)OCC
SPLASH splash10-00di-0922000000-172ea12cf31ab3d59081
Source of Spectrum J-55-6044-38
Synonyms 2-(tert-butoxycarbonyl)-5-[(ethoxycarbonyl)methyl]-1-(o-nitrobenzyl)pyrazolidin-3-one tert-Butyl 3-(2-ethoxy-2-oxoethyl)-2-(2-nitrobenzyl)-5-oxo-1-pyrazolidinecarboxylate
Wiley ID 1372519