Student engagement in evidence-based argumentation plays a central role in science education. These skills can be developed when identifying organic molecules from the spectroscopic data. Molecular structural analysis fosters deep procedural knowledge, as it involves (i) flexibly applying a set of procedures to extract information from spectra,…

The ability to elucidate the structure of organic compounds from their nuclear magnetic resonance (NMR), infrared (IR), and mass spectrometry (MS) spectra is an essential skill, particularly for those engaged in the fields of synthetic and analytical organic chemistry. Spectral analysis constitutes a fundamental component of the curriculum for all…

NMR prediction using ChemDoodle, NMR calculation with Gaussian, and hands-on data collection using a benchtop NMR spectrometer were explored to assess their synergistic capacity in teaching NMR to organic chemistry students. Nine molecules representing functional groups commonly encountered in undergraduate organic chemistry were selected. Spectra…