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1-Pyrazolidinecarboxylic acid, 3-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, 1,1-dimethylethyl ester, (.+-.)-
SpectraBase Compound ID 4Jks2c36JFS
InChI InChI=1S/C16H21N3O5/c1-11-9-14(20)18(15(21)24-16(2,3)4)17(11)10-12-7-5-6-8-13(12)19(22)23/h5-8,11H,9-10H2,1-4H3
InChIKey DFHDWMZFCBUHHX-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 8Y2WYHrgn8C
Name 1-Pyrazolidinecarboxylic acid, 3-methyl-2-[(2-nitrophenyl)methyl]-5-oxo-, 1,1-dimethylethyl ester, (.+-.)-
CAS Registry Number 130065-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O5
InChI InChI=1S/C16H21N3O5/c1-11-9-14(20)18(15(21)24-16(2,3)4)17(11)10-12-7-5-6-8-13(12)19(22)23/h5-8,11H,9-10H2,1-4H3
InChIKey DFHDWMZFCBUHHX-UHFFFAOYSA-N
Molecular Weight 335.360 g/mol
SMILES C(N1N(C(CC1C)=O)C(OC(C)(C)C)=O)c1c(N(=O)=O)cccc1
SPLASH splash10-0uki-0950000000-213f38b19e2aedfd753a
Source of Spectrum J-55-6044-34
Synonyms 2-(t-butoxycarbonyl)-5-methyl-1-(o-nitrobenzyl)pyrazolidin-3-one tert-Butyl 3-methyl-2-(2-nitrobenzyl)-5-oxo-1-pyrazolidinecarboxylate
Wiley ID 1331590