We show a Computer-Assisted Structure Elucidation (CASE) by NMR using Ibuprofen as an example. This will take you from NMR raw data to structure through a simple to use and learn workflow.
Combines latest advances in 1D and 2D NMR peak picking strategies (GSD deconvolution, filtering, smoothing), new approaches to constraint generation and handling and the latest methods for structure generation based on the constraints.
