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

*Links on SpectraBase are not permalinks.

3-Butenoic acid, 4-(4-chlorophenyl)-, ethyl ester, (E)-

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

3-Butenoic acid, 4-(4-chlorophenyl)-, ethyl ester, (E)-
SpectraBase Compound ID FnNXHIX1K3L
InChI InChI=1S/C12H13ClO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h3-4,6-9H,2,5H2,1H3/b4-3+
InChIKey HAQBKDPGMUQCCW-ONEGZZNKSA-N
Mol Weight 224.69 g/mol
Molecular Formula C12H13ClO2
Exact Mass 224.060407 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2bPJsB6zz0O
Name 3-Butenoic acid, 4-(4-chlorophenyl)-, ethyl ester, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.060407357 u
Formula C12H13ClO2
InChI InChI=1S/C12H13ClO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h3-4,6-9H,2,5H2,1H3/b4-3+
InChIKey HAQBKDPGMUQCCW-ONEGZZNKSA-N
Molecular Weight 224.687 g/mol
SMILES C1(=CC=C(C=C1)Cl)\C=C\CC(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.717767