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trichloroacetic acid, pentyl ester
SpectraBase Compound ID ISLqyUGNY5E
InChI InChI=1S/C7H11Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h2-5H2,1H3
InChIKey LZJOVWVTJGLPFN-UHFFFAOYSA-N
Mol Weight 233.52 g/mol
Molecular Formula C7H11Cl3O2
Exact Mass 231.982463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHM7Inl3GUa
Name Acetic acid, trichloro-, pentyl ester
Alternate Name(s) Pentyl trichloroacetate 2,2,2-trichloroacetic acid amyl ester 2,2,2-trichloroacetic acid pentyl ester Pentyl 2,2,2-trichloroacetate Pentyl 2,2,2-tris(chloranyl)ethanoate Trichloroacetic acid, pentyl ester AI3-32471
CAS Registry Number 33972-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h2-5H2,1H3
InChIKey LZJOVWVTJGLPFN-UHFFFAOYSA-N
Molecular Weight 233.522 g/mol
SMILES CCCCCOC(=O)C(Cl)(Cl)Cl
SPLASH splash10-0006-9000000000-7fb4e5de4019c220edb5
Source of Spectrum JC-366-96-31
Wiley ID 1233149