Using an NMR software as an instructional tool in elucidating organic structures

Abstract Synthesis experiments are a hallmark of undergraduate chemical education in laboratory class where students are trained to conduct experiments, collect characterization data, and make sense of their data through various data processing tools. One staple characterization technique, particularly in organic synthesis experiments, is the use of nuclear magnetic resonance (NMR) to elucidate the structures. Owing to the scarcity in equipment and trained personnel required to perform NMR analysis, products synthesized in laboratory class are conventionally collected at the end of class and analyzed by a laboratory technician. The laboratory technician further processes the raw data by correcting for any baseline noise, integrating the relevant peaks and converting the data to a general user-friendly file (e.g., .pdf file). These postprocessed data are then returned to the students for elucidation of the compound’s structure. The data processing by the laboratory technician is at once operationally taxing and detracting from the student’s learning experience. We, thus, outline an activity that employs the use of a user-friendly software, MestReNova (MNova), for student use, which allows them to process the raw data from NMR independently.