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Octanoic acid, 7-chloro-, chloromethyl ester
SpectraBase Compound ID ENLlOQbG77a
InChI InChI=1S/C9H16Cl2O2/c1-8(11)5-3-2-4-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey RVCBGSJHWXKROV-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 6jlsHberYoQ
Name Octanoic acid, 7-chloro-, chloromethyl ester
CAS Registry Number 80418-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16Cl2O2
InChI InChI=1S/C9H16Cl2O2/c1-8(11)5-3-2-4-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey RVCBGSJHWXKROV-UHFFFAOYSA-N
Molecular Weight 227.131 g/mol
SMILES CC(CCCCCC(OCCl)=O)Cl
SPLASH splash10-0a4i-9200000000-c07e730b1d71a55c7ad9
Source of Spectrum O-19-37-34
Synonyms 7-Chlorocaprylic acid chloromethyl ester 7-Chlorooctanoic acid chloromethyl ester Chloromethyl 7-chloranyloctanoate Chloromethyl 7-chloro-octanoate
Wiley ID 1226871