| SpectraBase Spectrum ID |
5uVM5N2vPrI |
| Name |
(E)-2,2-Dichloro-3-hydroxy-5-phenyl-4-pentenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.031999708 u |
| Formula |
C13H14Cl2O3 |
| InChI |
InChI=1S/C13H14Cl2O3/c1-2-18-12(17)13(14,15)11(16)9-8-10-6-4-3-5-7-10/h3-9,11,16H,2H2,1H3/b9-8+ |
| InChIKey |
LNWFLOLIDKFNFQ-CMDGGOBGSA-N |
| SMILES |
C(C(C(\C=C\C=1C=CC=CC1)O)(Cl)Cl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960528 |
