About

We redeveloped the NMR prediction from scratch and you get now a new, modern, web interface ! Please visit and draw a chemical structure and get all the predicted spectra at once.

NMR spectroscopy is certainly the analytical methodology that provides the most information about a molecule. Teaching and interpreting spectra may however be challenging. On this webpage we have compile many tools that allows to:

Predict 1D ¹H NMR spectra
Predict 1D ¹³C NMR spectra
Predict COSY spectra
Predict HSQC / HMBC spectra
Simulated second order effect in ¹H NMR spectra
Make some NMR exercises or share them with your students

¹H NMR prediction was possible thanks to the tool of the FCT-Universidade NOVA de Lisboa developped by Yuri Binev and Joao Aires-de-Sousa. Y. Binev, M.M. Marques, J. Aires-de-Sousa, Prediction of 1H NMR coupling constants with associative neural networks trained for chemical shifts J. Chem. Inf. Model. 2007, 47/(6), 2089-2097.

This website does not contain any database of NMR spectra but allows to predict easily ^13C as well as ¹H spectra.