Articles | Volume 2, issue 2
Magn. Reson., 2, 545–555, 2021

Special issue: Geoffrey Bodenhausen Festschrift

Magn. Reson., 2, 545–555, 2021

Research article 06 Jul 2021

Research article | 06 Jul 2021

Application of multiplet structure deconvolution to extract scalar coupling constants from 1D nuclear magnetic resonance spectra

Damien Jeannerat and Carlos Cobas

Cited articles

Berger, S.: A quarter of a century of SERF: The progress of an NMR pulse sequence and its application, Prog. Nucl. Mag. Res. Sp., 108, 74–114,, 2018. 
Bothner-By, A. A. and Dadok, J.: Useful manipulations of the free induction decay, J. Mag. Reson., 72, 540–543,, 1987. 
Cobas, C., Seoane, F., and Sykora, S.: Global Spectral Deconvolution (GSD) of 1D-NMR spectra, Stan's Library, Volume II,, 2008. 
Cobas, J. C., Constantino-Castillo, V., Martin-Pastor, M., and del Rio-Portilla, F.: A two-stage approach to automatic determination of 1H NMR coupling constants, Magn. Reson. Chem., 43, 843–848,, 2005. 
del Río Portilla, F., and Freeman, R.: Measurement of Spin Coupling Constants by Decoupling and Reconvolution, J. Magn. Reson. Ser. A, 104, 358–362,, 1993. 
Short summary
Nuclear magnetic resonance spectroscopy is at the forefront of analytical methods used in organic chemistry and phytochemistry. Multiplet structure deconvolution has been revisited in the perspective of a robust integration in the computer-assisted workflow of 1D spectra analysis. New features include the management of coupling partners with spin > 1/2, second-order effects and partial signal overlap.