The chemical shifts (d) of solvent signals observed for 1 H NMR and 13 C NMR spectra are listed in the following table. The multiplicity is shown in parentheses as 1 for singlet, 2 for doublet, 3 for ...

A deep learning framework (NMRNet) is developed to model atomic environments for predicting NMR chemical shifts. A benchmark dataset, nmrshiftdb2-2024, is also established to provide a ...