| SpectraBase Compound ID | FoODT396qTc |
|---|---|
| InChI | InChI=1S/C13H6Cl3FO2/c14-9-5-11(16)12(6-10(9)15)19-13(18)7-2-1-3-8(17)4-7/h1-6H |
| InChIKey | MTATVXYDWFMEDI-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 | Fh4wb3fkWcA |
|---|---|
| Name | 3-Fluorobenzoic acid, 2,4,5-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/c14-9-5-11(16)12(6-10(9)15)19-13(18)7-2-1-3-8(17)4-7/h1-6H |
| InChIKey | MTATVXYDWFMEDI-UHFFFAOYSA-N |
| Molecular Weight | 319.546 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)F |