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3-hydroxy-4,4,4-trichlorobutyric acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

3-hydroxy-4,4,4-trichlorobutyric acid, ethyl ester
SpectraBase Compound ID LjDB6jCftmc
InChI InChI=1S/C6H9Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
InChIKey RZSBEAZIKBJBBY-UHFFFAOYSA-N
Mol Weight 235.49 g/mol
Molecular Formula C6H9Cl3O3
Exact Mass 233.961727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 716Y9jvFp3k
Name Ethyl 4,4,4-trichloro-3-hydroxybutanoate
CAS Registry Number 19486-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9Cl3O3
InChI InChI=1S/C6H9Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
InChIKey RZSBEAZIKBJBBY-UHFFFAOYSA-N
Molecular Weight 235.494 g/mol
SMILES OC(CC(OCC)=O)C(Cl)(Cl)Cl
SPLASH splash10-0103-9400000000-539f406bcef6e2f1e253
Synonyms 4,4,4-trichloro-3-hydroxy-butyric acid ethyl ester 4,4,4-trichloro-3-hydroxybutanoic acid ethyl ester Butanoic acid, 4,4,4-trichloro-3-hydroxy-, ethyl ester Ethyl 4,4,4-tris(chloranyl)-3-oxidanyl-butanoate
Wiley ID 1486037