NP-MRD (Beta) is still undergoing development. Please feel free to explore and use the database. But the interface is still being refined and the deposition might be slow. Please provide us with your feedback.
1H NMR Predictor
What is the NMR predictor?
The 1H NMR predictor is a machine learning-based predictor for small molecules. The predictor accepts the molecular structure and returns the predicted 1H chemical shift values in ppm in D2O, CDCL3 or DMSO solvent. Add the structure of your natural product by pasting a SMILES or InChI string into the MarvinJS structure drawing applet below. Alternatively, you can use the applet to draw your structure or to upload an '.sdf' file. To learn how to draw a structure in MarvinJS, click on the 'MarvinJS Tutorials'.