| SpectraBase Compound ID | DAyJo9NtIZ0 |
|---|---|
| InChI | InChI=1S/C11H11F3O/c1-8-4-2-3-5-9(8)6-7-10(15)11(12,13)14/h2-7,10,15H,1H3/b7-6+ |
| InChIKey | XXAWLWCNESBVLI-VOTSOKGWSA-N |
| Mol Weight | 216.2 g/mol |
| Molecular Formula | C11H11F3O |
| Exact Mass | 216.076199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I73vkq5ca8Z |
|---|---|
| Name | (E)-1,1,1-Trifluoro-4-(o-tolyl)-3-buten-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.076199462 u |
| Formula | C11H11F3O |
| InChI | InChI=1S/C11H11F3O/c1-8-4-2-3-5-9(8)6-7-10(15)11(12,13)14/h2-7,10,15H,1H3/b7-6+ |
| InChIKey | XXAWLWCNESBVLI-VOTSOKGWSA-N |
| Molecular Weight | 216.203 g/mol |
| SMILES | C(C(\C=C\C=1C(=CC=CC1)C)O)(F)(F)F |