| SpectraBase Compound ID | 16Dndh5yzea |
|---|---|
| InChI | InChI=1S/C13H15F5O2/c14-12(15,13(16,17)18)10(19)20-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2/t7-,8+,9-,11- |
| InChIKey | QALJLVCICNDGST-KJZNFTALSA-N |
| Mol Weight | 298.25 g/mol |
| Molecular Formula | C13H15F5O2 |
| Exact Mass | 298.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vokUVj55F2 |
|---|---|
| Name | 1-Adamantanol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.099220536 u |
| Formula | C13H15F5O2 |
| InChI | InChI=1S/C13H15F5O2/c14-12(15,13(16,17)18)10(19)20-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2/t7-,8+,9-,11- |
| InChIKey | QALJLVCICNDGST-KJZNFTALSA-N |
| Molecular Weight | 298.253 g/mol |
| SMILES | C12(OC(C(C(F)(F)F)(F)F)=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |