| SpectraBase Compound ID | BcN98eWSqJ2 |
|---|---|
| InChI | InChI=1S/C13H13F3O2/c1-9(2)18-12(17)7-6-10-4-3-5-11(8-10)13(14,15)16/h3-9H,1-2H3/b7-6+ |
| InChIKey | ZGWZDMHKFXKXOJ-VOTSOKGWSA-N |
| Mol Weight | 258.24 g/mol |
| Molecular Formula | C13H13F3O2 |
| Exact Mass | 258.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhJSHhsTAue |
|---|---|
| Name | 3-Trifluoromethylcinnamic acid, isopropyl 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)18-12(17)7-6-10-4-3-5-11(8-10)13(14,15)16/h3-9H,1-2H3/b7-6+ |
| InChIKey | ZGWZDMHKFXKXOJ-VOTSOKGWSA-N |
| Molecular Weight | 258.240 g/mol |
| SMILES | C1=CC(\C=C\C(OC(C)C)=O)=CC(=C1)C(F)(F)F |