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Simulated NMR Spectrum using Jmol - English

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Outline:

Load the model of a chemical structure on the Jmol panel. Use JSpecView tool available on the Jmol interface to simulate the 1H NMR of the chemical structure. Show simulated 13C NMR for the model on the panel. Zoom-in and Zoom-out the peaks in the spectrum. Integrate the peaks in 1H NMR spectrum. Change the display parameters of the plot. Add one or more plots (stacking) to the existing plot and make comparisons. Overlap multiple plots. Save the plots in jdx format. Export the plot in various image formats.

Width:	1132	Height:	678
Duration:	00:15:52	Size:	12.5 MB

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Pre-requisite

Structures from Database

Assignment

Code files

Codefiles/
Codefiles/Jmol-models/
Codefiles/Jmol-models/aniline.mol
Codefiles/Jmol-models/benzene.mol

Script

Slides

NMR-Slides/
NMR-Slides/Res-aniline.png
NMR-Slides/Simulated-NMR.pdf
NMR-Slides/Simulated-NMR.tex
NMR-Slides/st-logo-new.png

Additional reading material

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