| SpectraBase Compound ID | FzGuINPEnWt |
|---|---|
| InChI | InChI=1S/C13H17F5O2/c1-10(2)7-4-5-11(10,3)8(6-7)20-9(19)12(14,15)13(16,17)18/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | YAHWCTNCIHKPIS-FYBVGQRMSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C13H17F5O2 |
| Exact Mass | 300.114871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BcJe8Cyfgx |
|---|---|
| Name | Borneol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.114870600 u |
| Formula | C13H17F5O2 |
| InChI | InChI=1S/C13H17F5O2/c1-10(2)7-4-5-11(10,3)8(6-7)20-9(19)12(14,15)13(16,17)18/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | YAHWCTNCIHKPIS-FYBVGQRMSA-N |
| Molecular Weight | 300.269 g/mol |
| SMILES | [C@]1(OC(C(C(F)(F)F)(F)F)=O)([C@]2(C([C@@](C1)(CC2)[H])(C)C)C)[H] |