NMR Simulator

NMR spectroscopy becomes quickly difficult to predict when second order simulation is observed. Here you can simulate the problems by entering the spin system you want to simulate, the chemical shift as well as the coupling constant. This project is the result the collaboration of Julien Wist (University of Cali, Colombia), Andres Castillo (University of Bogota, Colombia) and Luc Patiny (Ecole Polytechnique Federale de Lausanne, Switzerland).

If you use this tool please don't forget to cite us: Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems. Andrés M. Castillo, Luc Patiny and Julien Wist Journal of Magnetic Resonance 2011. 10.1016/j.jmr.2010.12.008

From: to: ppm. Line width: Hz. Max cluster size: 60 MHz 90 MHz 200 MHz 300 MHz 400 MHz 500 MHz 600 MHz 800 MHz 800 MHz 1000 MHz simulate Reset Size: x	AB ABC ABCD ABCDE ABCDEF ABCDEFG

1 1H 2 1 2 d 5 3 d 15 2 1H 2.02 1 3 d 3 3 1H 4 1