| SpectraBase Compound ID | L2JZOpxZ4Kd |
|---|---|
| InChI | InChI=1S/C13H17F3O/c1-3-10(2)8-17-9-11-4-6-12(7-5-11)13(14,15)16/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | AFQIVXAGZNHKPS-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H17F3O |
| Exact Mass | 246.12315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CbVXR770KA |
|---|---|
| Name | 4-(Trifluoromethyl)phenyl methanol, 2-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.123149655 u |
| Formula | C13H17F3O |
| InChI | InChI=1S/C13H17F3O/c1-3-10(2)8-17-9-11-4-6-12(7-5-11)13(14,15)16/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | AFQIVXAGZNHKPS-UHFFFAOYSA-N |
| Molecular Weight | 246.273 g/mol |
| SMILES | C1=CC(=CC=C1COCC(CC)C)C(F)(F)F |