| SpectraBase Compound ID | 6xhbZ5xixgY |
|---|---|
| InChI | InChI=1S/C11H15F7O2/c1-6(2)4-5-7(3)20-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,4-5H2,1-3H3 |
| InChIKey | BBNCDVNFCTXLLD-UHFFFAOYSA-N |
| Mol Weight | 312.23 g/mol |
| Molecular Formula | C11H15F7O2 |
| Exact Mass | 312.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hurpe8XDn5A |
|---|---|
| Name | 5-Methyl-2-hexanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.096026862 u |
| Formula | C11H15F7O2 |
| InChI | InChI=1S/C11H15F7O2/c1-6(2)4-5-7(3)20-8(19)9(12,13)10(14,15)11(16,17)18/h6-7H,4-5H2,1-3H3 |
| InChIKey | BBNCDVNFCTXLLD-UHFFFAOYSA-N |
| Molecular Weight | 312.228 g/mol |
| SMILES | CC(CCC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |