Today (26/6/2025) i have opend a jupyter notebook for a new and general method for 13C chemical shift calculation. You can find the Link to the jupyter notebook hosted by mybinder.org on the top of this page! Please report errors and comments. This can be helpful.
You can find more informations on github: DCode Project page General iformations about 13C chemical shifts
After more than 20 years of using this site I finally managed to convert the extended IR wizard to a SQL database.
Now I can limit the search results per page and distribute them to several pages. But now the time of the simple IR wizard is over.
It will only be available on this page. Please be fair and quote this page. Quotes are the reward for my work. This service is free, but i have to pay for the server.
Errors, questions and others - steffen@sthomas.de is my private adress!
