| SpectraBase Compound ID | JKhj4IXoLX |
|---|---|
| InChI | InChI=1S/C11H13F7O2/c1-6-4-2-3-5-7(6)20-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,2-5H2,1H3 |
| InChIKey | AGMOJWIMFDABCU-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 | 5mtpA0ipL8h |
|---|---|
| Name | 1-Methyl-2-heptafluorobutyryloxycyclohexane |
| 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/c1-6-4-2-3-5-7(6)20-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,2-5H2,1H3 |
| InChIKey | AGMOJWIMFDABCU-UHFFFAOYSA-N |
| Molecular Weight | 310.212 g/mol |
| SMILES | C1(CCCCC1OC(C(F)(F)C(C(F)(F)F)(F)F)=O)C |