Submitted by Anthony L. Fernandez / Merrimack College on Sun, 05/06/2018 - 16:06

Does anyone know of a piece of software that can create a NMR spectrum from literature data? For instance, I would like to "create" a spectrum from a list of peaks and coupling constants listed in an article. I find that the visual aspect of students looking at a spectrum (and not at a list of peaks) is more impactful on their ability to understand NMR data. Any suggestions would be greatly appreciated. 


Anthony L. Fernandez / Merrimack College

Just after I posted this I found something I had not noticed on the NMRDB webpage. They have a "NMR resurrector" tool that can take a NMR assignment string from an article and create a spectrum. You can find this at the URL given below.

Any other suggestions would be greatly appreciated, especially if they can handle non-proton spectra.


Sun, 05/06/2018 - 16:20 Permalink