| SpectraBase Compound ID | J11BOLDywZW |
|---|---|
| InChI | InChI=1S/C10H9F3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChIKey | MLUUTGMPDMTQFG-UHFFFAOYSA-N |
| Mol Weight | 218.18 g/mol |
| Molecular Formula | C10H9F3O2 |
| Exact Mass | 218.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlN18WKTNh2 |
|---|---|
| Name | .alpha.-(Trifluoromethyl) benzyl alcohol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.055464017 u |
| Formula | C10H9F3O2 |
| InChI | InChI=1S/C10H9F3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChIKey | MLUUTGMPDMTQFG-UHFFFAOYSA-N |
| Molecular Weight | 218.175 g/mol |
| SMILES | C1=CC=CC=C1C(OC(C)=O)C(F)(F)F |