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.

References

• 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.
• Steinbeck, Christoph, Stefan Krause, and Stefan Kuhn. NMRShiftDB Constructing a Free Chemical Information System with Open-Source Components. Journal of chemical information and computer sciences, 2003, 43(6): 1733-1739.