Skip to Main Content
ChemDraw Beta 21.0 Portal
Created by Junming He
Created on Nov 7, 2021

NMR deuterated solvents

Update and include more deuterated solvents for chemNMR predictions?

The current feature file > preferences... > ChemNMR includes DMSO and CDCl3. Maybe include other solvents like CD3OD (deuterated methanol) and (CD3)2CO (deuterated acetone)

  • Attach files
  • Junming He
    Reply
    |
    Nov 10, 2021

    I agree, the predictions are not accurate, but they do give me a sense of an idea of where my peaks should be expected. I think ChemDraw collaborated with MestreNova, but it's also not the full version... I haven't really seen any tutorials on how you can use ChemDraw to compliment MNova.

  • Stéphane Mons
    Reply
    |
    Nov 10, 2021

    As far as I know, ChemDraw uses increment tables so the predictions are not really accurate (but I haven't tested accuracy for some years now).

    What I would like to see is some partnership with other NMR prediction software(s) so people with a valid license to other softwares could invoke such softwares right from ChemDraw.

  • Junming He
    Reply
    |
    Nov 9, 2021

    I commonly use the 1-H and 13-C NMRs, but I think others that use 31-P would find it useful if they can create predictions too.

  • Admin
    Pierre Morieux
    Reply
    |
    Nov 9, 2021

    Further along to this comment: which extra nuclei do you think would be needed?