| SpectraBase Spectrum ID |
7lKelXW6Dg1 |
| Name |
p-Toluic 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 |
210.044757292 u |
| Formula |
C11H11ClO2 |
| InChI |
InChI=1S/C11H11ClO2/c1-9-3-5-10(6-4-9)11(13)14-8-2-7-12/h2-7H,8H2,1H3/b7-2+ |
| InChIKey |
AKHNPGGATKIWFI-FARCUNLSSA-N |
| Molecular Weight |
210.660 g/mol |
| SMILES |
C(=O)(OC\C=C\Cl)C=1C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865659 |
