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1-Pyrazolidinecarboxylic acid, 4-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID J4kNEI7z5ie
InChI InChI=1S/C16H21N3O5/c1-11-9-17(10-12-7-5-6-8-13(12)19(22)23)18(14(11)20)15(21)24-16(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKey WDOIARQOZUXVGP-UHFFFAOYSA-N
Mol Weight 335.36 g/mol
Molecular Formula C16H21N3O5
Exact Mass 335.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzeZ6wctC79
Name 1-Pyrazolidinecarboxylic acid, 4-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, 1,1-dimethylethyl ester, (.+-.)-
Alternate Name(s) 2-(t-butoxycarbonyl)-4-methyl-1-(o-nitrobenzyl)pyrazolidin-3-one tert-Butyl 4-methyl-2-(2-nitrobenzyl)-5-oxo-1-pyrazolidinecarboxylate
CAS Registry Number 130064-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O5
InChI InChI=1S/C16H21N3O5/c1-11-9-17(10-12-7-5-6-8-13(12)19(22)23)18(14(11)20)15(21)24-16(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKey WDOIARQOZUXVGP-UHFFFAOYSA-N
Molecular Weight 335.360 g/mol
SMILES C1N(N(C(C1C)=O)C(OC(C)(C)C)=O)Cc1c(N(=O)=O)cccc1
SPLASH splash10-01c0-0490000000-36fc362f12f6db63053c
Source of Spectrum J-55-6043-28
Wiley ID 1331589