| SpectraBase Compound ID | 1BNLB3gs9qD |
|---|---|
| InChI | InChI=1S/C11H15F5O4/c1-2-3-4-5-6-7(8(17)18)20-9(19)10(12,13)11(14,15)16/h7H,2-6H2,1H3,(H,17,18) |
| InChIKey | AXGMGBCYGANCAG-UHFFFAOYSA-N |
| Mol Weight | 306.23 g/mol |
| Molecular Formula | C11H15F5O4 |
| Exact Mass | 306.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32iFCIHrXbo |
|---|---|
| Name | (+-)-2-hydroxyoctanoic acid, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.089049774 u |
| Formula | C11H15F5O4 |
| InChI | InChI=1S/C11H15F5O4/c1-2-3-4-5-6-7(8(17)18)20-9(19)10(12,13)11(14,15)16/h7H,2-6H2,1H3,(H,17,18) |
| InChIKey | AXGMGBCYGANCAG-UHFFFAOYSA-N |
| Molecular Weight | 306.229 g/mol |
| SMILES | CCCCCCC(C(O)=O)OC(=O)C(C(F)(F)F)(F)F |