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

*Links on SpectraBase are not permalinks.

Fumaric acid, 2-phenethyl 2,2-dichloroethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, 2-phenethyl 2,2-dichloroethyl ester
SpectraBase Compound ID 7YBeIGMYhv4
InChI InChI=1S/C14H14Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+
InChIKey MQEZQDNODIEQQF-VOTSOKGWSA-N
Mol Weight 317.17 g/mol
Molecular Formula C14H14Cl2O4
Exact Mass 316.026914 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID IMkZRznM4Mp
Name Fumaric acid, 2-phenethyl 2,2-dichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.026914327 u
Formula C14H14Cl2O4
InChI InChI=1S/C14H14Cl2O4/c15-12(16)10-20-14(18)7-6-13(17)19-9-8-11-4-2-1-3-5-11/h1-7,12H,8-10H2/b7-6+
InChIKey MQEZQDNODIEQQF-VOTSOKGWSA-N
Molecular Weight 317.168 g/mol
SMILES C(\C=C\C(OCC(Cl)Cl)=O)(OCCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962547