| SpectraBase Compound ID | ILE50Khmf9V |
|---|---|
| InChI | InChI=1S/C13H17F3O/c1-10(2)7-8-17-9-11-3-5-12(6-4-11)13(14,15)16/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | ARECSLYCXPRNAF-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 | E85aT6GIWz5 |
|---|---|
| Name | 4-(Trifluoromethyl)phenyl methanol, 3-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/c1-10(2)7-8-17-9-11-3-5-12(6-4-11)13(14,15)16/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | ARECSLYCXPRNAF-UHFFFAOYSA-N |
| Molecular Weight | 246.273 g/mol |
| SMILES | C1=CC(=CC=C1COCCC(C)C)C(F)(F)F |