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Hexanoic acid, 4-chloro-, chloromethyl ester
SpectraBase Compound ID EubpbFsvuVh
InChI InChI=1S/C7H12Cl2O2/c1-2-6(9)3-4-7(10)11-5-8/h6H,2-5H2,1H3
InChIKey SKALGZTWKDDAHB-UHFFFAOYSA-N
Mol Weight 199.08 g/mol
Molecular Formula C7H12Cl2O2
Exact Mass 198.021435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Or0JPNe7C
Name Hexanoic acid, 4-chloro-, chloromethyl ester
Alternate Name(s) 4-Chlorohexanoic acid chloromethyl ester Chloromethyl 4-chloranylhexanoate Chloromethyl 4-chlorohexanoate
CAS Registry Number 80418-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12Cl2O2
InChI InChI=1S/C7H12Cl2O2/c1-2-6(9)3-4-7(10)11-5-8/h6H,2-5H2,1H3
InChIKey SKALGZTWKDDAHB-UHFFFAOYSA-N
Molecular Weight 199.077 g/mol
SMILES C(CCC(OCCl)=O)(Cl)CC
SPLASH splash10-0aou-9300000000-ed6aec795c7a77670946
Source of Spectrum O-19-38-18
Wiley ID 1194869