| SpectraBase Compound ID | DR5AYTPiuMB |
|---|---|
| InChI | InChI=1S/C16H15F3O2/c1-11(20)15(21,12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-11,20-21H,1H3 |
| InChIKey | NILHNSUKASYSTF-UHFFFAOYSA-N |
| Mol Weight | 296.29 g/mol |
| Molecular Formula | C16H15F3O2 |
| Exact Mass | 296.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3YPLx5lI9B |
|---|---|
| Name | 3-Trifluoromethyl-.alpha.-hydroxyethyl-benzhydrol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.102414210 u |
| Formula | C16H15F3O2 |
| InChI | InChI=1S/C16H15F3O2/c1-11(20)15(21,12-6-3-2-4-7-12)13-8-5-9-14(10-13)16(17,18)19/h2-11,20-21H,1H3 |
| InChIKey | NILHNSUKASYSTF-UHFFFAOYSA-N |
| Molecular Weight | 296.289 g/mol |
| SMILES | C(C1=CC(C(C2=CC=CC=C2)(C(O)C)O)=CC=C1)(F)(F)F |