Title
The Discovery Approach to NMR: Development of Chemical-Shift Additivity Tables and Application to Product Identification
Abstract
A discovery-based approach to the preparation and application of chemical-shift additivity tables is presented to give students insight into the development of NMR spectral prediction software. The chemical shift of each proton in meta-dinitrobenzene is first assigned on the basis of the expected coupling constants (ortho, meta, and para) around a benzene ring. These chemical shifts are used to determine the chemical shift additivity for a nitro group ortho, meta, or para to hydrogen on a benzene nucleus. The chemical shift additivities obtained are then used to predict the NMR spectrum of the product of nitration of methylbenzoate.
Department(s)
Chemistry
Document Type
Article
DOI
https://doi.org/10.1021/ed077p890
Publication Date
1-1-2000
Recommended Citation
Bosch, Eric. "The Discovery Approach to NMR: Development of Chemical-Shift Additivity Tables and Application to Product Identification." Journal of Chemical Education 77, no. 7 (2000): 890.
Journal Title
Journal of Chemical Education
