| SpectraBase Compound ID | 7OFCLl78Ljw |
|---|---|
| InChI | InChI=1S/C10H15F3O4/c1-8(2)16-5-9(3,6-17-8)4-15-7(14)10(11,12)13/h4-6H2,1-3H3 |
| InChIKey | CHYYQNIUNLMFPB-UHFFFAOYSA-N |
| Mol Weight | 256.22 g/mol |
| Molecular Formula | C10H15F3O4 |
| Exact Mass | 256.092243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ODxBk4LFvw |
|---|---|
| Name | 5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.092243448 u |
| Formula | C10H15F3O4 |
| InChI | InChI=1S/C10H15F3O4/c1-8(2)16-5-9(3,6-17-8)4-15-7(14)10(11,12)13/h4-6H2,1-3H3 |
| InChIKey | CHYYQNIUNLMFPB-UHFFFAOYSA-N |
| Molecular Weight | 256.221 g/mol |
| SMILES | C1(OCC(CO1)(COC(C(F)(F)F)=O)C)(C)C |