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8-Chlorocaprylic acid methyl ester

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

8-Chlorocaprylic acid methyl ester
SpectraBase Compound ID 2hKoeSWy1Y0
InChI InChI=1S/C9H17ClO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey CSTARPJPLIGTHY-UHFFFAOYSA-N
Mol Weight 192.69 g/mol
Molecular Formula C9H17ClO2
Exact Mass 192.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYo3WrbIDv6
Name 8-Chlorocaprylic acid methyl ester
CAS Registry Number 16195-75-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17ClO2
InChI InChI=1S/C9H17ClO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey CSTARPJPLIGTHY-UHFFFAOYSA-N
Molecular Weight 192.686 g/mol
SMILES C(=O)(OC)CCCCCCCCl
SPLASH splash10-00di-9000000000-da2e3c61df9855083832
Source of Spectrum F-34-795-4
Synonyms 8-Chlorooctanoic acid methyl ester Methyl 8-chloranyloctanoate Methyl 8-chlorooctanoate
Wiley ID 1188090