| SpectraBase Compound ID | K2CMusXHE8 |
|---|---|
| InChI | InChI=1S/C13H21F5O2/c1-5-11(4,8-6-7-9(2)3)20-10(19)12(14,15)13(16,17)18/h9H,5-8H2,1-4H3 |
| InChIKey | RIJSRJFXIJAFRU-UHFFFAOYSA-N |
| Mol Weight | 304.3 g/mol |
| Molecular Formula | C13H21F5O2 |
| Exact Mass | 304.146171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mwn7jRP4tQ |
|---|---|
| Name | Tetrahydrolinalool, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.146170729 u |
| Formula | C13H21F5O2 |
| InChI | InChI=1S/C13H21F5O2/c1-5-11(4,8-6-7-9(2)3)20-10(19)12(14,15)13(16,17)18/h9H,5-8H2,1-4H3 |
| InChIKey | RIJSRJFXIJAFRU-UHFFFAOYSA-N |
| Molecular Weight | 304.301 g/mol |
| SMILES | C(CCCC(C)C)(CC)(C)OC(C(C(F)(F)F)(F)F)=O |