| SpectraBase Compound ID | BGxKw2bK4pp |
|---|---|
| InChI | InChI=1S/C16H20F4O2/c1-3-5-6-11(4-2)10-22-15(21)12-7-8-13(14(17)9-12)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | QTFOYNIOELTJSW-UHFFFAOYSA-N |
| Mol Weight | 320.33 g/mol |
| Molecular Formula | C16H20F4O2 |
| Exact Mass | 320.139943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQUtMVI0wXG |
|---|---|
| Name | 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.139942534 u |
| Formula | C16H20F4O2 |
| InChI | InChI=1S/C16H20F4O2/c1-3-5-6-11(4-2)10-22-15(21)12-7-8-13(14(17)9-12)16(18,19)20/h7-9,11H,3-6,10H2,1-2H3 |
| InChIKey | QTFOYNIOELTJSW-UHFFFAOYSA-N |
| Molecular Weight | 320.328 g/mol |
| SMILES | C1=C(C=CC(=C1F)C(F)(F)F)C(=O)OCC(CC)CCCC |