NMR Predict

Draw a chemical structure and click on "Calculate spectrum". You may also DRAG / DROP a molfile ! You will get an interactive NMR spectrum.

• Banfi, D.; Patiny, L. www.nmrdb.org: Resurrecting and processing NMR spectra on-line Chimia, 2008, 62(4), 280-281.
• Andrés M. Castillo, Luc Patiny and Julien Wist. Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems. Journal of Magnetic Resonance 2011.
• Aires-de-Sousa, M. Hemmer, J. Gasteiger, “ Prediction of 1H NMR Chemical Shifts Using Neural Networks”, Analytical Chemistry, 2002, 74(1), 80-90.