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Octanoic acid, 4-chloro-, chloromethyl ester
SpectraBase Compound ID 1iM2BiT2Vee
InChI InChI=1S/C9H16Cl2O2/c1-2-3-4-8(11)5-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey DFWMUPOBAPRFLT-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 5opWXfGWqo2
Name Octanoic acid, 4-chloro-, chloromethyl ester
CAS Registry Number 80418-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16Cl2O2
InChI InChI=1S/C9H16Cl2O2/c1-2-3-4-8(11)5-6-9(12)13-7-10/h8H,2-7H2,1H3
InChIKey DFWMUPOBAPRFLT-UHFFFAOYSA-N
Molecular Weight 227.131 g/mol
SMILES CCCCC(CCC(OCCl)=O)Cl
SPLASH splash10-0a59-9300000000-1cf0588daf18eeda9f00
Source of Spectrum O-19-37-31
Synonyms 4-Chlorocaprylic acid chloromethyl ester 4-Chlorooctanoic acid chloromethyl ester Chloromethyl 4-chloranyloctanoate Chloromethyl 4-chloro-octanoate
Wiley ID 1226867