| SpectraBase Compound ID | BDULcWAHIs |
|---|---|
| InChI | InChI=1S/C17H22F4O2/c1-2-3-4-5-6-7-8-12-23-16(22)15-13(17(19,20)21)10-9-11-14(15)18/h9-11H,2-8,12H2,1H3 |
| InChIKey | CRNYPPIXOSSGIP-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 | 6Acb7kfKyrK |
|---|---|
| Name | 6-Fluoro-2-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/c1-2-3-4-5-6-7-8-12-23-16(22)15-13(17(19,20)21)10-9-11-14(15)18/h9-11H,2-8,12H2,1H3 |
| InChIKey | CRNYPPIXOSSGIP-UHFFFAOYSA-N |
| Molecular Weight | 334.355 g/mol |
| SMILES | C(COC(C1=C(C=CC=C1C(F)(F)F)F)=O)CCCCCCC |