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Ethyl 4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID AsGbhtcyoIj
InChI InChI=1S/C7H9F3O3/c1-2-13-6(12)5(3-4-11)7(8,9)10/h4-5H,2-3H2,1H3
InChIKey UBNVIQXMYMYFBA-UHFFFAOYSA-N
Mol Weight 198.14 g/mol
Molecular Formula C7H9F3O3
Exact Mass 198.050379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoK5Tdyy34T
Name Ethyl 4-oxo-2-(trifluoromethyl)butanoate
Alternate Name(s) 4-Oxo-2-(trifluoromethyl)butanoic acid ethyl ester Ethyl 4-oxidanylidene-2-(trifluoromethyl)butanoate
CAS Registry Number 126459-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9F3O3
InChI InChI=1S/C7H9F3O3/c1-2-13-6(12)5(3-4-11)7(8,9)10/h4-5H,2-3H2,1H3
InChIKey UBNVIQXMYMYFBA-UHFFFAOYSA-N
Molecular Weight 198.141 g/mol
SMILES C(C(C(=O)OCC)CC=O)(F)(F)F
SPLASH splash10-0udj-1900000000-581ebc6a6f17fa852888
Source of Spectrum J-55-3386-5
Wiley ID 1194855