| SpectraBase Compound ID | 2G9TSlTGdGd |
|---|---|
| InChI | InChI=1S/C12H17F7O2/c1-3-4-5-6-7-8(2)21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3 |
| InChIKey | CQNVNDNWIKZAAI-UHFFFAOYSA-N |
| Mol Weight | 326.25 g/mol |
| Molecular Formula | C12H17F7O2 |
| Exact Mass | 326.111677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH6KDfpK9Vw |
|---|---|
| Name | 2-Octanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.111676926 u |
| Formula | C12H17F7O2 |
| InChI | InChI=1S/C12H17F7O2/c1-3-4-5-6-7-8(2)21-9(20)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3 |
| InChIKey | CQNVNDNWIKZAAI-UHFFFAOYSA-N |
| Molecular Weight | 326.255 g/mol |
| SMILES | CC(CCCCCC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |