| SpectraBase Compound ID | 2NlElGQ0Hgb |
|---|---|
| InChI | InChI=1S/C16H20F4O2/c1-2-3-4-5-6-7-11-22-15(21)14-12(16(18,19)20)9-8-10-13(14)17/h8-10H,2-7,11H2,1H3 |
| InChIKey | SSJYBFJKRUXJSU-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 | Fno8Aa5IRDs |
|---|---|
| Name | 6-Fluoro-2-trifluoromethylbenzoic acid, octyl 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/c1-2-3-4-5-6-7-11-22-15(21)14-12(16(18,19)20)9-8-10-13(14)17/h8-10H,2-7,11H2,1H3 |
| InChIKey | SSJYBFJKRUXJSU-UHFFFAOYSA-N |
| Molecular Weight | 320.328 g/mol |
| SMILES | C(COC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCCCC |