| SpectraBase Compound ID | Enzh9YXjN56 |
|---|---|
| InChI | InChI=1S/C16H20F4O2/c1-3-5-7-11(4-2)10-22-15(21)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3 |
| InChIKey | VUAKWQAFCBLWEY-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 | B4YzhWDlkeu |
|---|---|
| Name | 2-Fluoro-3-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/c1-3-5-7-11(4-2)10-22-15(21)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3 |
| InChIKey | VUAKWQAFCBLWEY-UHFFFAOYSA-N |
| Molecular Weight | 320.328 g/mol |
| SMILES | CCCCC(CC)COC(C1=C(C(=CC=C1)C(F)(F)F)F)=O |