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

*Links on SpectraBase are not permalinks.

Fumaric acid, 4-chlorophenyl ethyl ester

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

Fumaric acid, 4-chlorophenyl ethyl ester
SpectraBase Compound ID RSoFx2lhuh
InChI InChI=1S/C12H11ClO4/c1-2-16-11(14)7-8-12(15)17-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b8-7+
InChIKey PFYVETUSXKTNAL-BQYQJAHWSA-N
Mol Weight 254.67 g/mol
Molecular Formula C12H11ClO4
Exact Mass 254.034587 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 1DPPYRCWfwk
Name Fumaric acid, 4-chlorophenyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.034586530 u
Formula C12H11ClO4
InChI InChI=1S/C12H11ClO4/c1-2-16-11(14)7-8-12(15)17-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b8-7+
InChIKey PFYVETUSXKTNAL-BQYQJAHWSA-N
Molecular Weight 254.669 g/mol
SMILES C(\C=C\C(OCC)=O)(OC1=CC=C(C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80099