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Heptanoic acid, 5-chloro-, chloromethyl ester
SpectraBase Compound ID XValafNmQU
InChI InChI=1S/C8H14Cl2O2/c1-2-7(10)4-3-5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey RERNZFAHTCTUJS-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 Kf34sxIZjPg
Name Heptanoic acid, 5-chloro-, chloromethyl ester
Alternate Name(s) 5-Chloroenanthic acid chloromethyl ester 5-Chloroheptanoic acid chloromethyl ester Chloromethyl 5-chloranylheptanoate Chloromethyl 5-chloroheptanoate
CAS Registry Number 80418-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14Cl2O2
InChI InChI=1S/C8H14Cl2O2/c1-2-7(10)4-3-5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey RERNZFAHTCTUJS-UHFFFAOYSA-N
Molecular Weight 213.104 g/mol
SMILES C(CCCC(=O)OCCl)(CC)Cl
SPLASH splash10-02u0-9200000000-7526762d48fcfb4a3735
Source of Spectrum O-19-39-25
Wiley ID 1210833