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The data presented in this article is related to the research article entitled "Spectroscopic characterisation of Grubbs 2nd generation catalyst and its p-cresol derivatives" (Swart et al. 2021). The 1D and 2D NMR characterisation data of the p-cresol derivative of the Grubbs 2nd generation catalyst, where one of the chloride ligands is replaced by the p-cresolate to form a Ru-O coordination compound (3) is reported. The characterization data include information obtained from 1H, 13C, Heteronuclear Single Quantum Coherence (HSQC), Hete