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Acetic acid, trichloro-, 3-methylbutyl ester
SpectraBase Compound ID 1mnSY31oZCD
InChI InChI=1S/C7H11Cl3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey HBNLTLLITHPMDZ-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 A4QFwrMvrHC
Name Acetic acid, trichloro-, 3-methylbutyl ester
CAS Registry Number 57392-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey HBNLTLLITHPMDZ-UHFFFAOYSA-N
Molecular Weight 233.522 g/mol
SMILES CC(CCOC(=O)C(Cl)(Cl)Cl)C
SPLASH splash10-0596-9100000000-eddb5a7b331ee107f309
Source of Spectrum NP-5-9949-0
Synonyms Isopentyl trichloroacetate 2,2,2-trichloroacetic acid 3-methylbutyl ester 2,2,2-trichloroacetic acid isoamyl ester 3-Methylbutyl 2,2,2-trichloroacetate 3-Methylbutyl 2,2,2-tris(chloranyl)ethanoate 3-Methylbutyl trichloroacetate isopentyl 2,2,2-trichloroacetate Trichloroacetic acid, 3-methylbutyl ester
Wiley ID 1105352