| SpectraBase Compound ID | 3a0ADdZiAwA |
|---|---|
| InChI | InChI=1S/C15H17F3O4/c1-2-20-13(19)12(10-11-6-4-3-5-7-11)14(15(16,17)18)21-8-9-22-14/h3-7,12H,2,8-10H2,1H3 |
| InChIKey | VXAMAEISZUIZBC-UHFFFAOYSA-N |
| Mol Weight | 318.29 g/mol |
| Molecular Formula | C15H17F3O4 |
| Exact Mass | 318.107894 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6hy26ydQIUO |
|---|---|
| Name | Ethyl 3,3-ethylenedioxy-4,4,4-trifluoro-2-benzylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.107893512 u |
| Formula | C15H17F3O4 |
| InChI | InChI=1S/C15H17F3O4/c1-2-20-13(19)12(10-11-6-4-3-5-7-11)14(15(16,17)18)21-8-9-22-14/h3-7,12H,2,8-10H2,1H3 |
| InChIKey | VXAMAEISZUIZBC-UHFFFAOYSA-N |
| Molecular Weight | 318.292 g/mol |
| SMILES | C1(OCCO1)(C(F)(F)F)C(C(=O)OCC)Cc1ccccc1 |