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1-(2,2,2-Trichloroethoxncarbonyl)-2-isobutyryl-5,5-dimethylpyrazolidin-3-one
SpectraBase Compound ID FBLpkll9gUL
InChI InChI=1S/C12H17Cl3N2O4/c1-7(2)9(19)16-8(18)5-11(3,4)17(16)10(20)21-6-12(13,14)15/h7H,5-6H2,1-4H3
InChIKey TZYUWGILYMMGDD-UHFFFAOYSA-N
Mol Weight 359.64 g/mol
Molecular Formula C12H17Cl3N2O4
Exact Mass 358.02539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICNsPDupDqw
Name 1-(2,2,2-Trichloroethoxncarbonyl)-2-isobutyryl-5,5-dimethylpyrazolidin-3-one
Alternate Name(s) 2,2,2-trichloroethyl 2-isobutyryl-5,5-dimethyl-3-oxo-1-pyrazolidinecarboxylate
CAS Registry Number 53992-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17Cl3N2O4
InChI InChI=1S/C12H17Cl3N2O4/c1-7(2)9(19)16-8(18)5-11(3,4)17(16)10(20)21-6-12(13,14)15/h7H,5-6H2,1-4H3
InChIKey TZYUWGILYMMGDD-UHFFFAOYSA-N
Molecular Weight 359.637 g/mol
SMILES C1(N(N(C(C1)=O)C(=O)C(C)C)C(OCC(Cl)(Cl)Cl)=O)(C)C
SPLASH splash10-0006-9000000000-42f0f9593670c5a5130f
Source of Spectrum J-40-912-0
Wiley ID 1346750