| SpectraBase Compound ID | Cjmdx2pXxxY |
|---|---|
| InChI | InChI=1S/C13H13F3O2/c1-9(2)6-7-18-12(17)10-4-3-5-11(8-10)13(14,15)16/h3-6,8H,7H2,1-2H3 |
| InChIKey | ZSJCOZKAUPZFTL-UHFFFAOYSA-N |
| Mol Weight | 258.24 g/mol |
| Molecular Formula | C13H13F3O2 |
| Exact Mass | 258.086764 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 | 7VSLobkL4yq |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.086764146 u |
| Formula | C13H13F3O2 |
| InChI | InChI=1S/C13H13F3O2/c1-9(2)6-7-18-12(17)10-4-3-5-11(8-10)13(14,15)16/h3-6,8H,7H2,1-2H3 |
| InChIKey | ZSJCOZKAUPZFTL-UHFFFAOYSA-N |
| Molecular Weight | 258.240 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OCC=C(C)C)=O)C(F)(F)F |