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Trichloro-acetic acid, tert-butyl ester
SpectraBase Compound ID BBKNPjUMWJO
InChI InChI=1S/C6H9Cl3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChIKey YROVKSCEXQTHTJ-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 7ttfJxFWB45
Name Acetic acid, trichloro-, 1,1-dimethylethyl ester
Alternate Name(s) 2,2,2-trichloroacetic acid tert-butyl ester tert-Butyl 2,2,2-trichloroacetate 2,2,2-Trichloro-tert-butyl acetate tert-Butyl 2,2,2-tris(chloranyl)ethanoate Tert-Butyl trichloroacetate B,b,b-trichloro-tert-butyl acetate
CAS Registry Number 1860-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChIKey YROVKSCEXQTHTJ-UHFFFAOYSA-N
Molecular Weight 219.495 g/mol
SMILES C(C(OC(C)(C)C)=O)(Cl)(Cl)Cl
SPLASH splash10-0006-9300000000-8c69903c05f21aec0f08
Source of Spectrum AA-0-1547-1
Wiley ID 27697