| SpectraBase Compound ID | 9NAAWewHh0y |
|---|---|
| InChI | InChI=1S/C18H23F3O2/c1-2-3-4-5-6-7-13-23-17(22)12-11-15-9-8-10-16(14-15)18(19,20)21/h8-12,14H,2-7,13H2,1H3/b12-11+ |
| InChIKey | PUJCNFSVCZJTQA-VAWYXSNFSA-N |
| Mol Weight | 328.38 g/mol |
| Molecular Formula | C18H23F3O2 |
| Exact Mass | 328.165014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6qMqx1plyLS |
|---|---|
| Name | Trans-3-(trifluoromethyl)cinnamic acid, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.165014468 u |
| Formula | C18H23F3O2 |
| InChI | InChI=1S/C18H23F3O2/c1-2-3-4-5-6-7-13-23-17(22)12-11-15-9-8-10-16(14-15)18(19,20)21/h8-12,14H,2-7,13H2,1H3/b12-11+ |
| InChIKey | PUJCNFSVCZJTQA-VAWYXSNFSA-N |
| Molecular Weight | 328.375 g/mol |
| SMILES | C1=C(C=C(C=C1)\C=C\C(OCCCCCCCC)=O)C(F)(F)F |