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2,2,2-Trichloroethyl 3-oxobutanoate

View entire compound with spectra: 2 MS (GC)

2,2,2-Trichloroethyl 3-oxobutanoate
SpectraBase Compound ID efNL8JSvaI
InChI InChI=1S/C6H7Cl3O3/c1-4(10)2-5(11)12-3-6(7,8)9/h2-3H2,1H3
InChIKey YEHHYWREOGFYSS-UHFFFAOYSA-N
Mol Weight 233.48 g/mol
Molecular Formula C6H7Cl3O3
Exact Mass 231.946077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bQRC9pfJCq
Name 2,2,2-Trichloroethyl 3-oxobutanoate
CAS Registry Number 58547-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7Cl3O3
InChI InChI=1S/C6H7Cl3O3/c1-4(10)2-5(11)12-3-6(7,8)9/h2-3H2,1H3
InChIKey YEHHYWREOGFYSS-UHFFFAOYSA-N
Molecular Weight 233.478 g/mol
SMILES C(Cl)(COC(CC(C)=O)=O)(Cl)Cl
SPLASH splash10-000x-9000000000-7d28cc6b91faf30f55ec
Synonyms 2,2,2-tris(chloranyl)ethyl 3-oxidanylidenebutanoate 3-ketobutyric acid 2,2,2-trichloroethyl ester 3-Oxobutanoic acid 2,2,2-trichloroethyl ester Butanoic acid, 3-oxo-, 2,2,2-trichloroethyl ester
Wiley ID 1486924