| SpectraBase Compound ID | LUH65mPYrbh |
|---|---|
| InChI | InChI=1S/C9H6Cl3FO2/c10-9(11,12)5-15-8(14)6-1-3-7(13)4-2-6/h1-4H,5H2 |
| InChIKey | OKWOYIFLKRJCCS-UHFFFAOYSA-N |
| Mol Weight | 271.5 g/mol |
| Molecular Formula | C9H6Cl3FO2 |
| Exact Mass | 269.941741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Z3ulRf917A |
|---|---|
| Name | 4-Fluorobenzoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.941740694 u |
| Formula | C9H6Cl3FO2 |
| InChI | InChI=1S/C9H6Cl3FO2/c10-9(11,12)5-15-8(14)6-1-3-7(13)4-2-6/h1-4H,5H2 |
| InChIKey | OKWOYIFLKRJCCS-UHFFFAOYSA-N |
| Molecular Weight | 271.502 g/mol |
| SMILES | C1(=CC=C(C=C1)F)C(=O)OCC(Cl)(Cl)Cl |