![]() You can introduce dipolar or quadrupolar coupling constants by clicking on the corresponding boxes and entering the desired values. Change the 'Number of Nuclei', 'Spin', and 'Line Width' values to simulate a spectrum. Once the simulation is complete, modify any value and obtain the new spectrum by clicking on the 'Recalculate' button. Finally, select the number of points and spectral limits and click on the 'New' button to generate the corresponding spectrum. Their coupling constants are J(AB) = 3 Hz, J(BC) = 5.5 Hz, and J(CA) = 3.4 Hz. For example, imagine three protons (three spin groups) called A, B, and C, with chemical shifts of 1 ppm, 5 ppm, and 7 ppm respectively. Simulate a spectrum by entering the desired values. This module in MestReNova is an efficient simulator for high-resolution NMR spectra. Follow the menu 'View > Panels > Spin Simulation' or 'Advanced > Spin Simulation', which will display the corresponding dialog box.
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