Litcius/Paper detail

NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

Luc Patiny, Hamed Musallam, Alejandro Bolaños, Michaël Zasso, Julien Wist, Metin Karayilan, E. W. Ziegler, Johannes C. Liermann, Nils E. Schlörer

2024Beilstein Journal of Organic Chemistry17 citationsDOIOpen Access PDF

Abstract

NMRium is the first web-based software that allows displaying, processing, interpretation, and teaching of 1D and 2D NMR data in a user-friendly interface. It can import the most common data formats (e.g., JCAMP-DX, Bruker, Varian, and Jeol). While the scope for the use of NMRium encompasses a variety of applications such as being a component in data repositories or electronic lab notebooks (ELN), performing structure elucidation or preparing raw spectral data for publication, it also excels in enhancing teaching of NMR interpretation. In this paper, we present some current possibilities of this new tool. Several series of exercises are already provided on https://www.nmrium.org/teaching.

Topics & Concepts

Interpretation (philosophy)Raw dataInterface (matter)Variety (cybernetics)Scope (computer science)ChemistrySoftwareWorld Wide WebComponent (thermodynamics)Computer scienceArtificial intelligencePhysicsProgramming languageMoleculeOrganic chemistryGibbs isothermThermodynamicsMetabolomics and Mass Spectrometry StudiesVarious Chemistry Research TopicsAnalytical Chemistry and Chromatography