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Octanoic acid, 6-chloro-, chloromethyl ester
SpectraBase Compound ID BuvO0Ez7IVU
InChI InChI=1S/C9H16Cl2O2/c1-2-8(11)5-3-4-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey XCSMASOBOZXNSF-UHFFFAOYSA-N
Mol Weight 227.13 g/mol
Molecular Formula C9H16Cl2O2
Exact Mass 226.052735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwDZyyOa0gM
Name Octanoic acid, 6-chloro-, chloromethyl ester
Alternate Name(s) 6-Chlorocaprylic acid chloromethyl ester 6-Chlorooctanoic acid chloromethyl ester Chloromethyl 6-chloranyloctanoate Chloromethyl 6-chloro-octanoate
CAS Registry Number 80418-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16Cl2O2
InChI InChI=1S/C9H16Cl2O2/c1-2-8(11)5-3-4-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey XCSMASOBOZXNSF-UHFFFAOYSA-N
Molecular Weight 227.131 g/mol
SMILES CCC(CCCCC(OCCl)=O)Cl
SPLASH splash10-0a59-9300000000-3d46aa17bfa95106f8be
Source of Spectrum O-19-37-33
Wiley ID 1226869