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Butanoic acid, 4-chloro-2,4,4-trifluoro-3-oxo-, ethyl ester
SpectraBase Compound ID 29oFofE0jjt
InChI InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(8)4(11)6(7,9)10/h3H,2H2,1H3
InChIKey JASJHISMGCENJR-UHFFFAOYSA-N
Mol Weight 218.56 g/mol
Molecular Formula C6H6ClF3O3
Exact Mass 217.995756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55dnMnzZ1Go
Name Butanoic acid, 4-chloro-2,4,4-trifluoro-3-oxo-, ethyl ester
CAS Registry Number 87405-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6ClF3O3
InChI InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(8)4(11)6(7,9)10/h3H,2H2,1H3
InChIKey JASJHISMGCENJR-UHFFFAOYSA-N
Molecular Weight 218.559 g/mol
SMILES C(C(C(=O)OCC)F)(C(F)(F)Cl)=O
SPLASH splash10-052f-6910000000-de27f4239922eee9bc38
Source of Spectrum J-56-277-8
Synonyms Ethyl 4-chloro-2,4,4-trifluoro-3-oxobutanoate
Wiley ID 1216923