| SpectraBase Compound ID | 41QYZCeA2uY |
|---|---|
| InChI | InChI=1S/C13H6Cl3FO2/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6H |
| InChIKey | AGPNLPBVRWEWKD-UHFFFAOYSA-N |
| Mol Weight | 319.55 g/mol |
| Molecular Formula | C13H6Cl3FO2 |
| Exact Mass | 317.941741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF2oshU2Hck |
|---|---|
| Name | 2-Fluorobenzoic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.941740694 u |
| Formula | C13H6Cl3FO2 |
| InChI | InChI=1S/C13H6Cl3FO2/c14-7-5-9(15)12(10(16)6-7)19-13(18)8-3-1-2-4-11(8)17/h1-6H |
| InChIKey | AGPNLPBVRWEWKD-UHFFFAOYSA-N |
| Molecular Weight | 319.546 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)F |