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NMRium new features - November 2025

· One min read
Luc Patiny
Chief Scientific Officer, Zakodium

This update brings several improvements to molecule management in NMRium, making structure creation, labeling, and importing smoother and more intuitive.

  1. Assignment links multiplets to atoms in the molecule. Custom labels if defined appear in the spectrum, making reporting straightforward.

assignment links multiplets

  1. Fast atom labelling is now available — just press space or enter a custom label to number or name atoms directly, making assignment in natural product studies quick and consistent.

fast atom labelling

  1. Molecule editing is easier than ever. New canvas-level shortcuts let you build and adjust structures efficiently. Check the documentation for tips and details.

molecule editing

  1. Molfile imports has been improved to deal with custom atom labels. NMRium recognizes atom labels that are placed in ZZC, 'A' alias or 'V' value molfile fields