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Octanoic acid, 2-chloro-, chloromethyl ester
SpectraBase Compound ID 199tcwIaGL3
InChI InChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-8(11)9(12)13-7-10/h8H,2-7H2,1H3
InChIKey KZYDWRFXCQZHHV-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 B4NXY2luWEi
Name Octanoic acid, 2-chloro-, chloromethyl ester
CAS Registry Number 80418-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16Cl2O2
InChI InChI=1S/C9H16Cl2O2/c1-2-3-4-5-6-8(11)9(12)13-7-10/h8H,2-7H2,1H3
InChIKey KZYDWRFXCQZHHV-UHFFFAOYSA-N
Molecular Weight 227.131 g/mol
SMILES CCCCCCC(C(OCCl)=O)Cl
SPLASH splash10-052f-9300000000-81fccf8104cf873c3ac2
Source of Spectrum O-19-37-29
Synonyms 2-Chlorocaprylic acid chloromethyl ester 2-Chlorooctanoic acid chloromethyl ester Chloromethyl 2-chloranyloctanoate
Wiley ID 1226865