| SpectraBase Compound ID | B3LVEzMb83 |
|---|---|
| InChI | InChI=1S/C16H12F6O/c1-9-2-4-10(5-3-9)14(23)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h2-8,14,23H,1H3 |
| InChIKey | JFFLRFAWHYRLLZ-UHFFFAOYSA-N |
| Mol Weight | 334.26 g/mol |
| Molecular Formula | C16H12F6O |
| Exact Mass | 334.079234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJHXV4mq0aA |
|---|---|
| Name | (3,5-bis(Trifluoromethyl)phenyl)(p-tolyl)methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.079233983 u |
| Formula | C16H12F6O |
| InChI | InChI=1S/C16H12F6O/c1-9-2-4-10(5-3-9)14(23)11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h2-8,14,23H,1H3 |
| InChIKey | JFFLRFAWHYRLLZ-UHFFFAOYSA-N |
| Molecular Weight | 334.261 g/mol |
| SMILES | C=1(C=C(C(C=2C=CC(=CC2)C)O)C=C(C1)C(F)(F)F)C(F)(F)F |