| SpectraBase Compound ID | 1G8ZWKE0Ksf |
|---|---|
| InChI | InChI=1S/C11H15F7O3/c1-6(5-20-8(2,3)4)21-7(19)9(12,13)10(14,15)11(16,17)18/h6H,5H2,1-4H3 |
| InChIKey | TTXDLKZACJODPX-UHFFFAOYSA-N |
| Mol Weight | 328.23 g/mol |
| Molecular Formula | C11H15F7O3 |
| Exact Mass | 328.090941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dCqxpuxkXX |
|---|---|
| Name | 1-Tert-butoxy-2-propanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.090941481 u |
| Formula | C11H15F7O3 |
| InChI | InChI=1S/C11H15F7O3/c1-6(5-20-8(2,3)4)21-7(19)9(12,13)10(14,15)11(16,17)18/h6H,5H2,1-4H3 |
| InChIKey | TTXDLKZACJODPX-UHFFFAOYSA-N |
| Molecular Weight | 328.227 g/mol |
| SMILES | C(C(C)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)OC(C)(C)C |