| SpectraBase Compound ID | K3EWbS6sgQB |
|---|---|
| InChI | InChI=1S/C8H11F3O3/c9-8(10,11)7(13)14-6-3-1-5(12)2-4-6/h5-6,12H,1-4H2 |
| InChIKey | UUQGAWDUGNGYJI-UHFFFAOYSA-N |
| Mol Weight | 212.17 g/mol |
| Molecular Formula | C8H11F3O3 |
| Exact Mass | 212.066029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JjLlEgTWDes |
|---|---|
| Name | cis-1,4-Cyclohexanediol, mono-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.066028700 u |
| Formula | C8H11F3O3 |
| InChI | InChI=1S/C8H11F3O3/c9-8(10,11)7(13)14-6-3-1-5(12)2-4-6/h5-6,12H,1-4H2 |
| InChIKey | UUQGAWDUGNGYJI-UHFFFAOYSA-N |
| Molecular Weight | 212.168 g/mol |
| SMILES | C1(CCC(CC1)O)OC(=O)C(F)(F)F |