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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), Heteronuclear Multiple Bond Correlation (HMBC), Homonuclear Correlation Spectroscopy (COSY), Nuclear Overhauser Effect (NOE) and Distortionless Enhancement by Polarization Transfer (DEPT) NMR spectroscopy.