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Trichloroacetic acid, butyl ester
SpectraBase Compound ID BXhAZGL7osp
InChI InChI=1S/C6H9Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
InChIKey SECVZLDDYUWJAC-UHFFFAOYSA-N
Mol Weight 219.49 g/mol
Molecular Formula C6H9Cl3O2
Exact Mass 217.966813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vQxMDBJLk9
Name Acetic acid, trichloro-, butyl ester
Alternate Name(s) 2,2,2-trichloroacetic acid butyl ester Butyl 2,2,2-trichloroacetate Butyl 2,2,2-tris(chloranyl)ethanoate Butyl trichloroacetate n-Butyl trichloroacetate Trichloroacetic acid, butyl ester AI3-11626 EINECS 222-903-0
CAS Registry Number 3657-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
InChIKey SECVZLDDYUWJAC-UHFFFAOYSA-N
Molecular Weight 219.495 g/mol
SMILES CCCCOC(=O)C(Cl)(Cl)Cl
SPLASH splash10-056u-9000000000-d53aa8c8be152e0a3293
Source of Spectrum JC-366-96-30
Wiley ID 1216937