| SpectraBase Compound ID | 4ndCmXCyQEb |
|---|---|
| InChI | InChI=1S/C16H27F3O4/c1-3-5-6-7-8-9-10-13(14(20)21-4-2)15(16(17,18)19)22-11-12-23-15/h13H,3-12H2,1-2H3 |
| InChIKey | BUNHFVJQBWEYTH-UHFFFAOYSA-N |
| Mol Weight | 340.38 g/mol |
| Molecular Formula | C16H27F3O4 |
| Exact Mass | 340.186144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFTMZnNdIbI |
|---|---|
| Name | Ethyl 3,3-ethylenedioxy-4,4,4-trifluoro-2-octylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.186143834 u |
| Formula | C16H27F3O4 |
| InChI | InChI=1S/C16H27F3O4/c1-3-5-6-7-8-9-10-13(14(20)21-4-2)15(16(17,18)19)22-11-12-23-15/h13H,3-12H2,1-2H3 |
| InChIKey | BUNHFVJQBWEYTH-UHFFFAOYSA-N |
| Molecular Weight | 340.383 g/mol |
| SMILES | C1(OCCO1)(C(F)(F)F)C(C(=O)OCC)CCCCCCCC |