| SpectraBase Spectrum ID |
JhFoNrl6EEZ |
| Name |
2-Hydroxycinnamic acid, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.066028700 u |
| Formula |
C12H11F3O3 |
| InChI |
InChI=1S/C12H11F3O3/c1-8(12(13,14)15)18-11(17)7-6-9-4-2-3-5-10(9)16/h2-8,16H,1H3/b7-6+ |
| InChIKey |
NIPDVUOEQUIEDO-VOTSOKGWSA-N |
| Molecular Weight |
260.212 g/mol |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)OC(C(F)(F)F)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949784 |
