| SpectraBase Compound ID | HAQRjODLry2 |
|---|---|
| InChI | InChI=1S/C12H17F7O2/c1-7(2)5-4-6-8(3)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,4-6H2,1-3H3 |
| InChIKey | FRZXTEFAOHLSFO-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 | 6v8a5PFDVe6 |
|---|---|
| Name | 6-Methyl-2-heptanol, 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/c1-7(2)5-4-6-8(3)21-9(20)10(13,14)11(15,16)12(17,18)19/h7-8H,4-6H2,1-3H3 |
| InChIKey | FRZXTEFAOHLSFO-UHFFFAOYSA-N |
| Molecular Weight | 326.255 g/mol |
| SMILES | CC(CCCC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |