| SpectraBase Spectrum ID |
4qAvE3v3XzR |
| Name |
4-Fluorobenzoic 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 |
214.019685359 u |
| Formula |
C10H8ClFO2 |
| InChI |
InChI=1S/C10H8ClFO2/c11-6-1-7-14-10(13)8-2-4-9(12)5-3-8/h1-6H,7H2/b6-1+ |
| InChIKey |
SSUKEGHTTWEKSA-LZCJLJQNSA-N |
| Molecular Weight |
214.623 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(=O)OC\C=C\Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8455 |
