| SpectraBase Spectrum ID |
169lx7ePiuT |
| Name |
(Z)-2-Chloro-3-phenyl-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.044757292 u |
| Formula |
C11H11ClO2 |
| InChI |
InChI=1S/C11H11ClO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8- |
| InChIKey |
YMMZTPSQWDXUGC-NTMALXAHSA-N |
| Molecular Weight |
210.660 g/mol |
| SMILES |
C(\C(=C\C=1C=CC=CC1)Cl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924967 |
