For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Octanoic acid, 5-chloro-, chloromethyl ester
SpectraBase Compound ID 34R5v73MP3j
InChI InChI=1S/C9H16Cl2O2/c1-2-4-8(11)5-3-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey JUVOKRBZTUYKPF-UHFFFAOYSA-N
Mol Weight 227.13 g/mol
Molecular Formula C9H16Cl2O2
Exact Mass 226.052735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L5mbFoN84BG
Name Octanoic acid, 5-chloro-, chloromethyl ester
CAS Registry Number 80418-67-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16Cl2O2
InChI InChI=1S/C9H16Cl2O2/c1-2-4-8(11)5-3-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey JUVOKRBZTUYKPF-UHFFFAOYSA-N
Molecular Weight 227.131 g/mol
SMILES CCCC(CCCC(=O)OCCl)Cl
SPLASH splash10-001j-9200000000-ee903e114546e691f93d
Source of Spectrum O-19-37-32
Synonyms 5-Chlorocaprylic acid chloromethyl ester 5-Chlorooctanoic acid chloromethyl ester Chloromethyl 5-chloranyloctanoate Chloromethyl 5-chloro-octanoate
Wiley ID 1226868