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

*Links on SpectraBase are not permalinks.
2-Propenoic acid, 3-(4-chlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
SpectraBase Compound ID LxtddeJn5M5
InChI InChI=1S/C21H17ClO4/c22-19-12-9-17(10-13-19)11-14-20(23)25-15-5-2-6-16-26-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey BGRJKXMLOCXLJV-RMDPBZERSA-N
Mol Weight 368.82 g/mol
Molecular Formula C21H17ClO4
Exact Mass 368.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Getg0Om7ds0
Name 2-Propenoic acid, 3-(4-chlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.081536723 u
Formula C21H17ClO4
InChI InChI=1S/C21H17ClO4/c22-19-12-9-17(10-13-19)11-14-20(23)25-15-5-2-6-16-26-21(24)18-7-3-1-4-8-18/h1-14,16H,15H2/b5-2+,14-11+,16-6+
InChIKey BGRJKXMLOCXLJV-RMDPBZERSA-N
Molecular Weight 368.816 g/mol
SMILES C(=O)(C1=CC=CC=C1)O\C=C\C=C\COC(\C=C\C1=CC=C(C=C1)Cl)=O