| SpectraBase Compound ID | 9c1bfUivrkl |
|---|---|
| InChI | InChI=1S/C16H19F3O4/c1-2-21-14(20)13(9-8-12-6-4-3-5-7-12)15(16(17,18)19)22-10-11-23-15/h3-7,13H,2,8-11H2,1H3 |
| InChIKey | PLRSAQUWYSECHS-UHFFFAOYSA-N |
| Mol Weight | 332.32 g/mol |
| Molecular Formula | C16H19F3O4 |
| Exact Mass | 332.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CS96xSjK1B |
|---|---|
| Name | Ethyl 3,3-ethylenedioxy-4,4,4-trifluoro-2-phenethylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.123543577 u |
| Formula | C16H19F3O4 |
| InChI | InChI=1S/C16H19F3O4/c1-2-21-14(20)13(9-8-12-6-4-3-5-7-12)15(16(17,18)19)22-10-11-23-15/h3-7,13H,2,8-11H2,1H3 |
| InChIKey | PLRSAQUWYSECHS-UHFFFAOYSA-N |
| Molecular Weight | 332.319 g/mol |
| SMILES | C1(OCCO1)(C(F)(F)F)C(C(=O)OCC)CCc1ccccc1 |