| SpectraBase Compound ID | 1kBCHbORE3c |
|---|---|
| InChI | InChI=1S/C11H15F5O4/c1-8(2)19-5-9(3,6-20-8)4-18-7(17)10(12,13)11(14,15)16/h4-6H2,1-3H3 |
| InChIKey | BSXRGEKGDBDPMM-UHFFFAOYSA-N |
| Mol Weight | 306.23 g/mol |
| Molecular Formula | C11H15F5O4 |
| Exact Mass | 306.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGoDo09cIn0 |
|---|---|
| Name | 5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.089049774 u |
| Formula | C11H15F5O4 |
| InChI | InChI=1S/C11H15F5O4/c1-8(2)19-5-9(3,6-20-8)4-18-7(17)10(12,13)11(14,15)16/h4-6H2,1-3H3 |
| InChIKey | BSXRGEKGDBDPMM-UHFFFAOYSA-N |
| Molecular Weight | 306.229 g/mol |
| SMILES | C1(OCC(CO1)(C)COC(=O)C(C(F)(F)F)(F)F)(C)C |