Mnova Structure Elucidation

Mnova Structure Elucidation is a Computer-Assisted Structure Elucidation (CASE) solution that guides users from NMR data to molecular structure through an intuitive, step-by-step workflow. It leverages Mnova’s advanced NMR processing engine and incorporates powerful algorithms for deconvolution, filtering, smoothing, and connectivity analysis to speed up and simplify structural determination.

Intuitive and Easy-to-Use: The guided workflow avoids the hassle of handling multiple NMR datasets and makes advanced structure elucidation accessible to non-experts.

Faster Structure Elucidations: The automatic generation and ranking of fully assigned candidates enables rapid identification of the most likely structure and exploration of more plausible solutions than manual methods.

Non-Black Box Approach: Users get full insight into candidate structures through graphical interpretation of spectral features, visualization of bond connectivities, and inspection of applied constraints.

Confident Decision-Making: The high-quality NMR processing and structure elucidation algorithms that incorporate user input, enable efficient, reliable, and confident analysis.

Soong, R., Downey, K., Moser, A., Monje, P., Jenne, A., Ghosh Biswas, R., Bastawrous, M., Majumdar, R., Lysak, D. H., Adamo, A., Goerling, B., Decker, V., Busse, F., Dominguez, S., Sauer, E., Mikhaylichenko, S., Luk, V., Simpson, A. J. A CASE (Computer-Assisted Structure Elucidation) for Bench-Top NMR Systems in the Undergraduate Laboratory for De Novo Structure Determination: How Well Can We Do?. Journal of Chemical Education 99, 3780-3788 (2022). https://doi.org/10.1021/acs.jchemed.2c00475