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1,2-Pyrazolidinedicarboxylic acid, 3,3-dimethyl-5-oxo-, 1-(1,1-dimethylethyl) 2-(2,2,2-trichloroethyl) ester
SpectraBase Compound ID I2WeRuIP4NT
InChI InChI=1S/C13H19Cl3N2O5/c1-11(2,3)23-9(20)17-8(19)6-12(4,5)18(17)10(21)22-7-13(14,15)16/h6-7H2,1-5H3
InChIKey ZWCCODCYWOQCKF-UHFFFAOYSA-N
Mol Weight 389.66 g/mol
Molecular Formula C13H19Cl3N2O5
Exact Mass 388.035955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjvaE5cnsSG
Name 1,2-Pyrazolidinedicarboxylic acid, 3,3-dimethyl-5-oxo-, 1-(1,1-dimethylethyl) 2-(2,2,2-trichloroethyl) ester
CAS Registry Number 130064-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19Cl3N2O5
InChI InChI=1S/C13H19Cl3N2O5/c1-11(2,3)23-9(20)17-8(19)6-12(4,5)18(17)10(21)22-7-13(14,15)16/h6-7H2,1-5H3
InChIKey ZWCCODCYWOQCKF-UHFFFAOYSA-N
Molecular Weight 389.663 g/mol
SMILES C1(N(N(C(C1)=O)C(OC(C)(C)C)=O)C(OCC(Cl)(Cl)Cl)=O)(C)C
SPLASH splash10-0a4i-9050000000-abe8720c73c141080c81
Source of Spectrum J-55-6043-18
Synonyms 1-tert-Butyl 2-(2,2,2-trichloroethyl) 3,3-dimethyl-5-oxo-1,2-pyrazolidinedicarboxylate 2-(tert-butoxycarbonyl)-5,5-dimethyl-1-(2,2,2-trichloro-ethoxycarbonyl)pyrazolidin-3-one
Wiley ID 1363572