This is the spectrum of the substance from last post as predicted there. It looks kind of like the real one and none of the shifts are off more than .5 ppm.
The original author's homepage has a better design but the second plugin is not working in my browser.
3 comments:
You are using Firefox, right? If so you can use the tool on the second page. For this simply install MDL Chime for windows and then copy the file npchime.dll from the IE plugins directory to the Firefox plugins directory. [source]
Nice tools, but it seams that they fail on predict chemical shifts for protons bonded to nitrogen. Or am I doing something wrong?
yeah, like this it works, thank you
actually I tried it just on this one substance. but I could imagine that acidic hydrogens have larger error margins
it seems that acidic Hs are just ignored because it is assumed that the solvent will exchange them for Ds
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