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

*Links on SpectraBase are not permalinks.
4,4-dichlorobutyric acid, methyl ester
SpectraBase Compound ID 2qaTIITNBxk
InChI InChI=1S/C5H8Cl2O2/c1-9-5(8)3-2-4(6)7/h4H,2-3H2,1H3
InChIKey FLTUWIKFBYMPIV-UHFFFAOYSA-N
Mol Weight 171.02 g/mol
Molecular Formula C5H8Cl2O2
Exact Mass 169.990135 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 3WjFflfLu6a
Name Methyl 4,4-dichlorobutanoate
Alternate Name(s) 4,4-Dichlorobutanoic acid methyl ester Methyl 4,4-bis(chloranyl)butanoate
CAS Registry Number 81236-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8Cl2O2
InChI InChI=1S/C5H8Cl2O2/c1-9-5(8)3-2-4(6)7/h4H,2-3H2,1H3
InChIKey FLTUWIKFBYMPIV-UHFFFAOYSA-N
Molecular Weight 171.023 g/mol
SMILES C(CCC(OC)=O)(Cl)Cl
SPLASH splash10-00dl-9200000000-5410f016963045b63c42
Source of Spectrum NP-2-4286-0
Wiley ID 1100967