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chloroacetic acid, isopentyl ester
SpectraBase Compound ID 5ECLXoBJGHs
InChI InChI=1S/C7H13ClO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3
InChIKey UZQBACINTKFBSX-UHFFFAOYSA-N
Mol Weight 164.63 g/mol
Molecular Formula C7H13ClO2
Exact Mass 164.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALiMp5yBkwZ
Name Acetic acid, chloro-, 3-methylbutyl ester
Alternate Name(s) Isopentyl chloroacetate 2-Chloroacetic acid 3-methylbutyl ester 2-Chloroacetic acid isoamyl ester 3-Methylbutyl 2-chloranylethanoate 3-Methylbutyl 2-chloroacetate 3-Methylbutyl chloroacetate Chloroacetic acid, 3-methylbutyl ester isopentyl 2-chloroacetate AI3-03062 EINECS 226-207-8
CAS Registry Number 5326-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13ClO2
InChI InChI=1S/C7H13ClO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3
InChIKey UZQBACINTKFBSX-UHFFFAOYSA-N
Molecular Weight 164.632 g/mol
SMILES CC(CCOC(=O)CCl)C
SPLASH splash10-0096-9000000000-9a03c2708deaab3a4f44
Source of Spectrum JC-366-94-8
Wiley ID 1159919