| SpectraBase Compound ID | 4xCi5vkLTR4 |
|---|---|
| InChI | InChI=1S/C13H17F5O2/c1-8(2)5-6-10(9(3)4)7-20-11(19)12(14,15)13(16,17)18/h5,10H,3,6-7H2,1-2,4H3 |
| InChIKey | SFHMLXJTNSTYAL-UHFFFAOYSA-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 | H2ky6uxkUnQ |
|---|---|
| Name | (.+/-.)-lavandulol, 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/c1-8(2)5-6-10(9(3)4)7-20-11(19)12(14,15)13(16,17)18/h5,10H,3,6-7H2,1-2,4H3 |
| InChIKey | SFHMLXJTNSTYAL-UHFFFAOYSA-N |
| Molecular Weight | 300.269 g/mol |
| SMILES | CC(=CCC(COC(C(C(F)(F)F)(F)F)=O)C(=C)C)C |