In Figure , we show how frequently our approach identifies the correct compound. To contextualize the performance of our approach, we compare it to the one of Alberts et al. who specifically trained language models to translate spectra into structures (see Table .2 for more details on this baseline). .2 for more details on this baseline). The baselines make use of a joint ensemble model leveraging 1 H NMR and C NMR data for structure elucidation. We also show the total fraction of elucidated molecules, irrespective of their relative ranking in the final population.