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Simple 1D assignment

To assign molecules in NMRium, follow these steps:

  1. Multiplet (Ranges) Analysis:
    Begin by analyzing the spectrum to identify multiplets (ranges). You can do this by pressing r and clicking on the Auto Ranges Picking button.

  2. Load the Molecular Structure:
    Import or draw your molecule. You can then let it float over the spectrum.

  3. Assigning Ranges to Atoms:

  • Hoevering a range will show a link icon. You should click on it if you want to assign this range. Alternatively you can click on the link in the ranges panel.
  • Then, click on the atom(s) in the structure that correspond to that range.
  • Diastereotopic atoms can be expanded for selective assignment by holding SHIFT and clicking on the atom.
  1. Visual Feedback:
  • Atoms and ranges with a yellow background are assigned.
  • Clicking on an assigned atom or range highlights the corresponding assignment across panels.

Simple 1D Assignment