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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 1 H NMR spectra
  • Predict 1D 13 C NMR spectra
  • Predict COSY spectra
  • Predict HSQC / HMBC spectra
  • Simulated second order effect in 1 H NMR spectra
  • Recreate (resurect) 1D NMR spectra from experimental in-line assignment
1 H 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, . 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.

Nkompaniet steroider

n kompaniet steroider