| SpectraBase Compound ID | I0HbxjZ7dhr |
|---|---|
| InChI | InChI=1S/C15H11F3O2/c1-10-6-5-9-12(11-7-3-2-4-8-11)13(10)20-14(19)15(16,17)18/h2-9H,1H3 |
| InChIKey | QSUITTIPHAFUAL-UHFFFAOYSA-N |
| Mol Weight | 280.25 g/mol |
| Molecular Formula | C15H11F3O2 |
| Exact Mass | 280.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D254YJHzNDy |
|---|---|
| Name | 2-Methyl-6-phenylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.071114081 u |
| Formula | C15H11F3O2 |
| InChI | InChI=1S/C15H11F3O2/c1-10-6-5-9-12(11-7-3-2-4-8-11)13(10)20-14(19)15(16,17)18/h2-9H,1H3 |
| InChIKey | QSUITTIPHAFUAL-UHFFFAOYSA-N |
| Molecular Weight | 280.246 g/mol |
| SMILES | C1(=CC=CC=C1)C1=C(C(=CC=C1)C)OC(C(F)(F)F)=O |