| SpectraBase Compound ID | 2WPiGawe7AK |
|---|---|
| InChI | InChI=1S/C12H15F7O2/c1-6-3-4-8(5-7(6)2)21-9(20)10(13,14)11(15,16)12(17,18)19/h6-8H,3-5H2,1-2H3 |
| InChIKey | DWVHIHUXAROXQT-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 | aF1uz51XP9 |
|---|---|
| Name | 1,2-Dimethyl-4-heptafluorobutyryloxycyclohexane |
| 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/c1-6-3-4-8(5-7(6)2)21-9(20)10(13,14)11(15,16)12(17,18)19/h6-8H,3-5H2,1-2H3 |
| InChIKey | DWVHIHUXAROXQT-UHFFFAOYSA-N |
| Molecular Weight | 324.239 g/mol |
| SMILES | C1C(C(CCC1OC(C(F)(F)C(C(F)(F)F)(F)F)=O)C)C |