| SpectraBase Compound ID | K4giE9hC2xo |
|---|---|
| InChI | InChI=1S/C12H15F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,2-6H2,1H3 |
| InChIKey | QUGSZKGFYRCIMJ-UHFFFAOYSA-N |
| Mol Weight | 324.24 g/mol |
| Molecular Formula | C12H15F7O2 |
| Exact Mass | 324.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6U9jJ45aMGl |
|---|---|
| Name | 2-Ethylcyclohexanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.096026862 u |
| Formula | C12H15F7O2 |
| InChI | InChI=1S/C12H15F7O2/c1-2-7-5-3-4-6-8(7)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,2-6H2,1H3 |
| InChIKey | QUGSZKGFYRCIMJ-UHFFFAOYSA-N |
| Molecular Weight | 324.239 g/mol |
| SMILES | C1(C(CCCC1)CC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |