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Data for: Easy access to the geminal coupling between unresolved prochiral methylene protons

Norzagaray, ElisaiD, Montgomery, James R. D.iD, Adamski, WiktoriD, Sinnaeve, DavyiD

ZenodoSep 13, 2026License: openDOI: 10.5281/zenodo.22737764

Abstract

Couplings between prochiral methylene protons are valuable for NMR organic structural analysis, but their measurement is often limited by strong coupling and multiplet overlap. We present a new method, inverse PSYCHEDELIC, that overcomes this issue. We demonstrate geminal scalar and residual dipolar coupling measurements in steroids and the neuropeptide proctolin. This deposit contains all experimental and simulated NMR datasets in Bruker format. See the overview file for a more detailed description.

Topics & conditions

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Psychedelics

Keywords

NMR spectroscopyNMR pulse sequencesscalar couplingsresidual dipolar couplingsestradiolproctolinpure shift NMRJ-resolved spectroscopy

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