On the other hand, Mnova has been continuously improved in order to support not only data coming from all Bruker spectrometers, but also support to Agilent and JEOL instruments was also significantly enhanced. Whilst I had done my outmost with MestReC to process NMR spectra acquired in different instruments as best as possible, over the years we have found that some of the NMR experiments acquired in Bruker instruments were not properly processed unless some advances techniques were employed. Compare this predicted spectrum with the experimental one (if available)ģ.- Improved NMR files handling and processing ChemDraw, IsisDraw, etc and then copy and paste in Mnova) and get a high quality predicted NMR spectrum.
In the figure below, the result of applying this automatic assignment algorithm is depicted.ĭraw your molecule in Mnova or in any other molecular drawing package (i.e. This can be done either manually, where the chemist can assign the multiplets (1D) or cross peaks (2D) to their corresponding atoms in the molecule, or fully automatically by using a powerful proprietary algorithm (See this article for details: ). Unlike in MestReC, which does not have molecular structure handling capabilities, Mnova makes it possible the assignment of NMR spectra to their corresponding molecular structure. However, this was actually what complicates this work: There are so many new features and improvements in Mnova compared to MestReC that selecting the most relevant ones is not as easy as I had initially thought. So I decided to write out a list with all those new features that I considered most important and then sort them by relevance and keep only the top 10. My first reaction was that this was going to be an easy task, after all these two applications are very different, even though they share the same essence.
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