| SpectraBase Compound ID | 2iTADccrhGF |
|---|---|
| InChI | InChI=1S/C14H11F3O/c15-14(16,17)13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13,18H |
| InChIKey | DUMLNCXCCQGZOS-UHFFFAOYSA-N |
| Mol Weight | 252.24 g/mol |
| Molecular Formula | C14H11F3O |
| Exact Mass | 252.076199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwsNvrRDeGF |
|---|---|
| Name | 4'-Biphenyl-2,2,2-trifluoroethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.076199462 u |
| Formula | C14H11F3O |
| InChI | InChI=1S/C14H11F3O/c15-14(16,17)13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13,18H |
| InChIKey | DUMLNCXCCQGZOS-UHFFFAOYSA-N |
| Molecular Weight | 252.236 g/mol |
| SMILES | C(O)(C1=CC=C(C=C1)C1=CC=CC=C1)C(F)(F)F |