| SpectraBase Compound ID | ClCxuJJRAF6 |
|---|---|
| InChI | InChI=1S/C13H15F5O2/c1-7(2)9-5-4-8(3)10(6-9)20-11(19)12(14,15)13(16,17)18/h4,9-10H,1,5-6H2,2-3H3 |
| InChIKey | FUZVOGLBIJAJFE-UHFFFAOYSA-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 | DHbOvX9z4aP |
|---|---|
| Name | Trans-carveol, o-(pentafluoropropionyl)- |
| 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/c1-7(2)9-5-4-8(3)10(6-9)20-11(19)12(14,15)13(16,17)18/h4,9-10H,1,5-6H2,2-3H3 |
| InChIKey | FUZVOGLBIJAJFE-UHFFFAOYSA-N |
| Molecular Weight | 298.253 g/mol |
| SMILES | C=1CC(C(=C)C)CC(C1C)OC(C(C(F)(F)F)(F)F)=O |