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1-Pyrazolidinecarboxylic acid, 2-acetyl-5,5-dimethyl-3-oxo-, 2,2,2-trichloroethyl ester
SpectraBase Compound ID 66Z5U7wCHmJ
InChI InChI=1S/C10H13Cl3N2O4/c1-6(16)14-7(17)4-9(2,3)15(14)8(18)19-5-10(11,12)13/h4-5H2,1-3H3
InChIKey GXPVJIRSZZSLMO-UHFFFAOYSA-N
Mol Weight 331.58 g/mol
Molecular Formula C10H13Cl3N2O4
Exact Mass 329.99409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaBJ424TXyT
Name 1-Pyrazolidinecarboxylic acid, 2-acetyl-5,5-dimethyl-3-oxo-, 2,2,2-trichloroethyl ester
Alternate Name(s) 2,2,2-trichloroethyl 2-acetyl-5,5-dimethyl-3-oxo-1-pyrazolidinecarboxylate 2-Acetyl-1-(2,2,2-trichloroethoxycarbonyl-5,5-dimethylpyrazolidin-3-one
CAS Registry Number 49661-81-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13Cl3N2O4
InChI InChI=1S/C10H13Cl3N2O4/c1-6(16)14-7(17)4-9(2,3)15(14)8(18)19-5-10(11,12)13/h4-5H2,1-3H3
InChIKey GXPVJIRSZZSLMO-UHFFFAOYSA-N
Molecular Weight 331.583 g/mol
SMILES C1(N(N(C(C1)=O)C(=O)C)C(OCC(Cl)(Cl)Cl)=O)(C)C
SPLASH splash10-000y-9110000000-d290d45701acbcf18a69
Source of Spectrum J-40-912-0
Wiley ID 1327383