| SpectraBase Spectrum ID |
7JeHSy9RAxr |
| Name |
4-Ethylbenzoic acid, 3-chloroprop-2-enyl ester |
| 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/c1-2-10-4-6-11(7-5-10)12(14)15-9-3-8-13/h3-8H,2,9H2,1H3/b8-3+ |
| InChIKey |
SJAFWAMUNZHDSD-FPYGCLRLSA-N |
| Molecular Weight |
224.687 g/mol |
| SMILES |
C(=O)(OC\C=C\Cl)C1=CC=C(CC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870259 |
