| SpectraBase Compound ID | IeW2vomHHOP |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)13-7-4-8-14(11-13)21-15(20)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | FJOJWWJXFYGKNE-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DejF9MsBva |
|---|---|
| Name | 3-Trifluoromethylphenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)13-7-4-8-14(11-13)21-15(20)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | FJOJWWJXFYGKNE-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C1(=CC=CC(=C1)C(F)(F)F)OC(CCC1=CC=CC=C1)=O |