For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Heptanoic acid, 3-chloro-, chloromethyl ester
SpectraBase Compound ID 82K5BrxrCgu
InChI InChI=1S/C8H14Cl2O2/c1-2-3-4-7(10)5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey HJUPGERNLBGVLC-UHFFFAOYSA-N
Mol Weight 213.1 g/mol
Molecular Formula C8H14Cl2O2
Exact Mass 212.037085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1vJlwSBbzo7
Name Heptanoic acid, 3-chloro-, chloromethyl ester
Alternate Name(s) 3-Chloroenanthic acid chloromethyl ester 3-Chloroheptanoic acid chloromethyl ester Chloromethyl 3-chloranylheptanoate Chloromethyl 3-chloroheptanoate
CAS Registry Number 80418-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14Cl2O2
InChI InChI=1S/C8H14Cl2O2/c1-2-3-4-7(10)5-8(11)12-6-9/h7H,2-6H2,1H3
InChIKey HJUPGERNLBGVLC-UHFFFAOYSA-N
Molecular Weight 213.104 g/mol
SMILES C(Cl)OC(CC(CCCC)Cl)=O
SPLASH splash10-014l-9100000000-adcb347da5dc73ed7d4a
Source of Spectrum O-19-39-23
Wiley ID 1210831