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chloroacetic acid, octyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 MS (GC)

chloroacetic acid, octyl ester
SpectraBase Compound ID 7R8YiE2oDRg
InChI InChI=1S/C10H19ClO2/c1-2-3-4-5-6-7-8-13-10(12)9-11/h2-9H2,1H3
InChIKey NNXMXUSTTDFBDE-UHFFFAOYSA-N
Mol Weight 206.71 g/mol
Molecular Formula C10H19ClO2
Exact Mass 206.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NHC7OgLKRR
Name Octyl chloroacetate
Alternate Name(s) 2-Chloroacetic acid octyl ester Chloroacetic acid, octyl ester N-octyl chloroacetate Octyl 2-chloranylethanoate Octyl 2-chloroacetate
CAS Registry Number 5451-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19ClO2
InChI InChI=1S/C10H19ClO2/c1-2-3-4-5-6-7-8-13-10(12)9-11/h2-9H2,1H3
InChIKey NNXMXUSTTDFBDE-UHFFFAOYSA-N
Molecular Weight 206.713 g/mol
SMILES CCCCCCCCOC(=O)CCl
SPLASH splash10-056r-9000000000-3f0cd0fbf945743bc4d8
Source of Spectrum IC-510-0-0
Wiley ID 1204090