ACD/2D NMR Predictor
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Calculate 1H, 13C, and 2D NMR spectra for a variety of experiments of several correlation types in heteronuclear or homonuclear environments. These include COSY, TOCSY, HSQC, HMBC, and more.
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Chemical structures, imported from a variety of formats (including SDfiles, molfiles, SMILES, InChI, etc.) or drawn directly with our renowned ACD/ChemSketch package, can be used to predict 2D NMR spectra in a matter of seconds. Add-ins for ISIS and ChemDraw provide access to our predictions directly from alternative drawing packages.
To acknowledge the fact that there will always be proprietary structures not well-characterized in the literature, ACD/Labs has created the opportunity for you to train the predictors by building your own 1H and 13C NMR chemical shift databases to improve the software's predictions of 2D NMR spectra.
For more information on this product, refer to the overview links on the side panel of this page.
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