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3-chlorooctanoic acid, methyl ester
SpectraBase Compound ID HMwqBIxmVIo
InChI InChI=1S/C9H17ClO2/c1-3-4-5-6-8(10)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey KWBYXIMICKRCBL-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 Jtzm2sthY2T
Name Methyl 3-chlorooctanoate
Alternate Name(s) 3-Chlorooctanoic acid methyl ester Methyl 3-chloranyloctanoate
CAS Registry Number 67963-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17ClO2
InChI InChI=1S/C9H17ClO2/c1-3-4-5-6-8(10)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey KWBYXIMICKRCBL-UHFFFAOYSA-N
Molecular Weight 192.686 g/mol
SMILES C(CC(Cl)CCCCC)(=O)OC
SPLASH splash10-0a4i-9100000000-d0194bd5d0cf34f6ccbd
Source of Spectrum F-34-795-4
Wiley ID 1188085