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Anthony L. Fernandez, Merrimack College
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Joined: 10/12/2008 - 9:56pm

Software to create NMR spectrum from literature data?

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. 

 

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Anthony L. Fernandez, Merrimack College
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Joined: 10/12/2008 - 9:56pm

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.

https://www.nmrdb.org/resurector/index.shtml?v=v2.52.0

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

 

Kyle Grice, DePaul University
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I know you can do it with WINDNMR... but I don't think that works on modern computers:

https://www.chem.wisc.edu/areas/reich/plt/windnmr.htm

Kyle Grice, DePaul University
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gNMR is another old program that might work: https://home.cc.umanitoba.ca/~budzelaa/gNMR/gNMR.html