| SpectraBase Spectrum ID |
6m9KTIvk9TN |
| Name |
4-Chlorobenzoic 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 |
229.990134896 u |
| Formula |
C10H8Cl2O2 |
| InChI |
InChI=1S/C10H8Cl2O2/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h1-6H,7H2/b6-1+ |
| InChIKey |
KYSAXPAUQIXXNR-LZCJLJQNSA-N |
| Molecular Weight |
231.078 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(=O)OC\C=C\Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928195 |
