| SpectraBase Compound ID | LY3Ty361Ugi |
|---|---|
| InChI | InChI=1S/C13H17F3O/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,8-9H2,1-3H3 |
| InChIKey | SNLUEHIBOUEBIE-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H17F3O |
| Exact Mass | 246.12315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IQN5Lm9Pzk0 |
|---|---|
| Name | 4-(Trifluoromethyl)phenyl methanol, neopentyl 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/c1-12(2,3)9-17-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,8-9H2,1-3H3 |
| InChIKey | SNLUEHIBOUEBIE-UHFFFAOYSA-N |
| Molecular Weight | 246.273 g/mol |
| SMILES | C1=CC(=CC=C1COCC(C)(C)C)C(F)(F)F |