ACD/FNMR
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ACD/FNMR is an NMR prediction software package that quickly and accurately calculates 19F chemical shifts and coupling constants for chemical structures containing fluorine.
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Fluorine-containing compounds are widespread in application, currently used in the development of pharmaceutical drugs, polymers, and in the industrial manufacturing of metals and glass, among other uses. As a result, many research and industry-relevant compounds can be characterized using 19F NMR. Unfortunately, if the chemists or spectroscopists do not run 19F NMR experiments on a regular basis, the interpretation of its respective data can be challenging.
By simply drawing a chemical structure with our world renowned ACD/ChemSketch package, you can predict 19F chemical shifts and coupling constants in a matter of seconds. Chemical structures can also be imported from a variety of formats (including SDfiles, molfiles, SMILES, InChI, etc.). Add-ins for ISIS and ChemDraw provide access to our predictions directly from alternative drawing packages.
For more information on the capabilities of this product refer to the overview links on the side panel of this page.
Attention existing users: In order to generate the most accurate predictions (in particular for compounds that exhibit stereochemistry), please review the technical note entitled, "How to Draw Structures for Accurate NMR Predictions".
The separate ACD/FNMR DB software module provides you with access to browse the complete 19F NMR database used for the predictions.
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