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Acetic acid, chloro-, butyl ester

View entire compound with spectra: 4 NMR, 2 FTIR, and 5 MS (GC)

Acetic acid, chloro-, butyl ester
SpectraBase Compound ID 8wnk8c1uUgR
InChI InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChIKey YJRGMUWRPCPLNH-UHFFFAOYSA-N
Mol Weight 150.6 g/mol
Molecular Formula C6H11ClO2
Exact Mass 150.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32gkCFlf00b
Name Acetic acid, chloro-, butyl ester
Alternate Name(s) 2-Chloroacetic acid butyl ester 2-Chloroacetic acid, n-butyl ester Butyl 2-chloranylethanoate Butyl 2-chloroacetate Butyl chloroacetate Chloroacetic acid n-butyl ester Chloroacetic acid, butyl ester Monochloroacetic acid n-butyl ester n-Butyl chloroacetate AI3-18528 CASWELL NO. 125J EINECS 209-670-0 HSDB 5703 NSC 1212
CAS Registry Number 590-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11ClO2
InChI InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
InChIKey YJRGMUWRPCPLNH-UHFFFAOYSA-N
Molecular Weight 150.605 g/mol
SMILES CCCCOC(=O)CCl
SPLASH splash10-056r-9000000000-9e1d07db0e84ba1adec6
Source of Spectrum AD-0-4691-0
Wiley ID 1146649