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Trichloroacetic acid, 2-pentyl ester
SpectraBase Compound ID EuEysEcxAJj
InChI InChI=1S/C7H11Cl3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey GKGUCQJRCNVBMU-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 Fk7oUSXZKWP
Name 1-Methylbutyl trichloroacetate
CAS Registry Number 78031-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11Cl3O2
InChI InChI=1S/C7H11Cl3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChIKey GKGUCQJRCNVBMU-UHFFFAOYSA-N
Molecular Weight 233.522 g/mol
SMILES C(Cl)(Cl)(C(=O)OC(CCC)C)Cl
SPLASH splash10-00r6-9700000000-4cc24352f1a8a52bdada
Source of Spectrum NP-5-9951-0
Synonyms Trichloroacetic acid, 2-pentyl ester 2,2,2-trichloroacetic acid pentan-2-yl ester Pentan-2-yl 2,2,2-trichloroacetate 1-Methylbutyl 2,2,2-trichloroacetate Pentan-2-yl 2,2,2-tris(chloranyl)ethanoate
Wiley ID 1105354