| SpectraBase Spectrum ID |
FhJqzpBXZAa |
| Name |
3-Trifluoromethylbenzoic acid, 3-phenyl-2-propenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.086764146 u |
| Formula |
C17H13F3O2 |
| InChI |
InChI=1S/C17H13F3O2/c18-17(19,20)15-10-4-9-14(12-15)16(21)22-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+ |
| InChIKey |
UJMKTVRXRILCDY-VMPITWQZSA-N |
| Molecular Weight |
306.284 g/mol |
| SMILES |
C1(=CC=CC=C1)\C=C\COC(C=1C=CC=C(C1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898252 |
