It is possible to use www.nmrium.org to teach NMR structural elucidation.
You should first clone this project
You may then change all the files and folder. You have the possibility to group exercises in folder or have them directly at the first level.
You should save the NMR spectra as a JCAMP-DX file (on topspin use the tojdx
command). The spectrum should be FT and phase corrected. To spare bandwidth you may only save the real part of the spectrum.
For each exercise you want to create you should can add the following files:
- structure.mol : mandatory, the chemical structure of the answer
- 1h.jdx
- 13c.jdx
- 13cdec.jdx
- cosy.jdx
- hsqc.jdx
- hmbc.jdx
- deptXXX.jdx
- aptXXX.jdx
- ...
Only folder that contain an answer (structure.mol
) will be processed.
The system is based on various JSON files that are build automatically thanks to a github action.
https://www.nmrium.org/teaching#?toc=https://cheminfo.github.io/nmr-dataset-sample/toc.json
Each folder contains its own toc.json file so that you can directly give to you student the link to a subfolder