| SpectraBase Compound ID | CPEA2Sy3uWb |
|---|---|
| InChI | InChI=1S/C17H13F5O2/c1-8(2)10(9-6-4-3-5-7-9)17(23)24-16-14(21)12(19)11(18)13(20)15(16)22/h3-8,10H,1-2H3 |
| InChIKey | XDXCQGBRQOFEFF-UHFFFAOYSA-N |
| Mol Weight | 344.28 g/mol |
| Molecular Formula | C17H13F5O2 |
| Exact Mass | 344.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LprTlyMaAq |
|---|---|
| Name | Pentafluorophenyl 2-phenyl-3-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.083570472 u |
| Formula | C17H13F5O2 |
| InChI | InChI=1S/C17H13F5O2/c1-8(2)10(9-6-4-3-5-7-9)17(23)24-16-14(21)12(19)11(18)13(20)15(16)22/h3-8,10H,1-2H3 |
| InChIKey | XDXCQGBRQOFEFF-UHFFFAOYSA-N |
| Molecular Weight | 344.281 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)OC(C(C1=CC=CC=C1)C(C)C)=O |