| SpectraBase Spectrum ID |
LhtfeRP4ShO |
| Name |
4-(Trifluoromethyl)benzoic 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 |
264.016491685 u |
| Formula |
C11H8ClF3O2 |
| InChI |
InChI=1S/C11H8ClF3O2/c12-6-1-7-17-10(16)8-2-4-9(5-3-8)11(13,14)15/h1-6H,7H2/b6-1+ |
| InChIKey |
WAVIARCGALFILB-LZCJLJQNSA-N |
| Molecular Weight |
264.631 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC\C=C\Cl)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803832 |
