<b>Proton NMR Revisited: Negative Time Reconstruction Transforms Pure Shift and 2D</b><b> </b><b><i>J</i></b><b> </b><b>Spectroscopy</b>

It has been known for 50 years that separating these two effects, chemical shift and scalar coupling, into different spectral dimensions could greatly improve spectral resolution. Experimental implementations to date have failed, because they cannot measure the spin behavior for negative times.

We show in the accompanying paper, for a wide range of analytes, that the missing information can be reconstructed from the experimental evidence. This yields both cleanly resolved two-dimensional spectra, and a highly effective way to obtain simple “pure shift” one-dimensional proton spectra without homonuclear multiplet structure.</p><p dir="ltr">This data deposit includes a wide range of experimental and processed data, and all the code used for the processing.