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Heptanoic acid, 4-chloro-, chloromethyl ester
SpectraBase Compound ID ARIudkBaIMc
InChI InChI=1S/C8H14Cl2O2/c1-2-3-7(10)4-5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey ZEZMVWNYGQAVFR-UHFFFAOYSA-N
Mol Weight 213.1 g/mol
Molecular Formula C8H14Cl2O2
Exact Mass 212.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16I6rrFVfKW
Name Heptanoic acid, 4-chloro-, chloromethyl ester
CAS Registry Number 80418-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14Cl2O2
InChI InChI=1S/C8H14Cl2O2/c1-2-3-7(10)4-5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey ZEZMVWNYGQAVFR-UHFFFAOYSA-N
Molecular Weight 213.104 g/mol
SMILES CCCC(CCC(OCCl)=O)Cl
SPLASH splash10-0aor-9300000000-65eec21835767a7e9e7f
Source of Spectrum O-19-39-24
Synonyms 4-Chloroenanthic acid chloromethyl ester 4-Chloroheptanoic acid chloromethyl ester Chloromethyl 4-chloranylheptanoate Chloromethyl 4-chloroheptanoate
Wiley ID 1210832