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4-Methylpentyl trichloroacetate

View entire compound with spectra: 1 MS (GC)

4-Methylpentyl trichloroacetate
SpectraBase Compound ID 5hTuDQWZOEq
InChI InChI=1S/C8H13Cl3O2/c1-6(2)4-3-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKey RVXLEOBXRGDSRI-UHFFFAOYSA-N
Mol Weight 247.55 g/mol
Molecular Formula C8H13Cl3O2
Exact Mass 245.998113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FACMScqN0l1
Name 4-Methylpentyl trichloroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13Cl3O2
InChI InChI=1S/C8H13Cl3O2/c1-6(2)4-3-5-13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKey RVXLEOBXRGDSRI-UHFFFAOYSA-N
Molecular Weight 247.549 g/mol
SMILES C(Cl)(Cl)(Cl)C(=O)OCCCC(C)C
SPLASH splash10-0006-9100000000-56979e63f7c4597449b4
Source of Spectrum NP-6-8269-0
Synonyms Trichloroacetic acid, 4-methylpentyl ester 2,2,2-trichloroacetic acid 4-methylpentyl ester 4-Methylpentyl 2,2,2-trichloroacetate isohexyl 2,2,2-trichloroacetate 4-Methylpentyl 2,2,2-tris(chloranyl)ethanoate
Wiley ID 1106036