| SpectraBase Compound ID | Cq7XBiYPpeE |
|---|---|
| InChI | InChI=1S/C12H19F3O2/c1-11(2,3)8-6-4-5-7-9(8)17-10(16)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | YLYPEMFLIRASMG-UHFFFAOYSA-N |
| Mol Weight | 252.28 g/mol |
| Molecular Formula | C12H19F3O2 |
| Exact Mass | 252.133714 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 | LLFDiBpTUWg |
|---|---|
| Name | Trans-2-tert-butylcyclohexanol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.133714339 u |
| Formula | C12H19F3O2 |
| InChI | InChI=1S/C12H19F3O2/c1-11(2,3)8-6-4-5-7-9(8)17-10(16)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | YLYPEMFLIRASMG-UHFFFAOYSA-N |
| Molecular Weight | 252.277 g/mol |
| SMILES | C(C)(C)(C)C1C(OC(C(F)(F)F)=O)CCCC1 |