| SpectraBase Spectrum ID |
JNPF2pQz3VZ |
| Name |
2-Propenoic acid, 3-(4-chlorophenyl)-, 5-(benzoyloxy)-2,4-pentadienyl ester, (E,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972957 |
