| SpectraBase Spectrum ID |
6FWIs7yvfDf |
| Name |
3-Trifluoromethylcinnamic acid, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.165014468 u |
| Formula |
C18H23F3O2 |
| InChI |
InChI=1S/C18H23F3O2/c1-3-5-7-14(4-2)13-23-17(22)11-10-15-8-6-9-16(12-15)18(19,20)21/h6,8-12,14H,3-5,7,13H2,1-2H3/b11-10+ |
| InChIKey |
JSESXJCJYLRASK-ZHACJKMWSA-N |
| Molecular Weight |
328.375 g/mol |
| SMILES |
C(OC(\C=C\C=1C=CC=C(C1)C(F)(F)F)=O)C(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810246 |
