| SpectraBase Compound ID | IzOd04pLaPP |
|---|---|
| InChI | InChI=1S/C11H13F7O2/c12-9(13,10(14,15)11(16,17)18)8(19)20-6-7-4-2-1-3-5-7/h7H,1-6H2 |
| InChIKey | XYFYXSLHBJQTNR-UHFFFAOYSA-N |
| Mol Weight | 310.21 g/mol |
| Molecular Formula | C11H13F7O2 |
| Exact Mass | 310.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwHpNavkeoX |
|---|---|
| Name | Heptafluorobutyric acid, cyclohexylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.080376798 u |
| Formula | C11H13F7O2 |
| InChI | InChI=1S/C11H13F7O2/c12-9(13,10(14,15)11(16,17)18)8(19)20-6-7-4-2-1-3-5-7/h7H,1-6H2 |
| InChIKey | XYFYXSLHBJQTNR-UHFFFAOYSA-N |
| Molecular Weight | 310.212 g/mol |
| SMILES | C(F)(F)(C(F)(F)C(F)(F)F)C(=O)OCC1CCCCC1 |