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Hexanoic acid, 5-chloro-, chloromethyl ester
SpectraBase Compound ID HU3dKMKMQNX
InChI InChI=1S/C7H12Cl2O2/c1-6(9)3-2-4-7(10)11-5-8/h6H,2-5H2,1H3
InChIKey PZVNORNNHRGBRP-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 2plRBGEcILK
Name Hexanoic acid, 5-chloro-, chloromethyl ester
Alternate Name(s) 5-Chlorohexanoic acid chloromethyl ester Chloromethyl 5-chloranylhexanoate Chloromethyl 5-chlorohexanoate
CAS Registry Number 80418-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12Cl2O2
InChI InChI=1S/C7H12Cl2O2/c1-6(9)3-2-4-7(10)11-5-8/h6H,2-5H2,1H3
InChIKey PZVNORNNHRGBRP-UHFFFAOYSA-N
Molecular Weight 199.077 g/mol
SMILES CC(Cl)CCCC(OCCl)=O
SPLASH splash10-014j-9100000000-f59287ffda4ff86e8253
Source of Spectrum O-19-38-19
Wiley ID 1194870