| SpectraBase Compound ID | CKpbDU55mkM |
|---|---|
| InChI | InChI=1S/C16H20F4O2/c1-2-3-4-5-6-7-10-22-15(21)13-11-12(17)8-9-14(13)16(18,19)20/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | QDJIZTIEKPVEPR-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 | 6nR5RMQ20yj |
|---|---|
| Name | 5-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/c1-2-3-4-5-6-7-10-22-15(21)13-11-12(17)8-9-14(13)16(18,19)20/h8-9,11H,2-7,10H2,1H3 |
| InChIKey | QDJIZTIEKPVEPR-UHFFFAOYSA-N |
| Molecular Weight | 320.328 g/mol |
| SMILES | C(OC(C1=C(C=CC(=C1)F)C(F)(F)F)=O)CCCCCCC |