| SpectraBase Compound ID | HHFNNy0JguJ |
|---|---|
| InChI | InChI=1S/C17H22F4O2/c1-2-3-4-5-6-7-8-11-23-16(22)13-9-10-15(18)14(12-13)17(19,20)21/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | JBBYOVVZFTYPCB-UHFFFAOYSA-N |
| Mol Weight | 334.35 g/mol |
| Molecular Formula | C17H22F4O2 |
| Exact Mass | 334.155593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XlkfNePNUu |
|---|---|
| Name | 4-Fluoro-3-trifluoromethylbenzoic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.155592598 u |
| Formula | C17H22F4O2 |
| InChI | InChI=1S/C17H22F4O2/c1-2-3-4-5-6-7-8-11-23-16(22)13-9-10-15(18)14(12-13)17(19,20)21/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | JBBYOVVZFTYPCB-UHFFFAOYSA-N |
| Molecular Weight | 334.355 g/mol |
| SMILES | C(COC(C1=CC(=C(C=C1)F)C(F)(F)F)=O)CCCCCCC |