The dataset includes raw data, processing files, a Mnova file and a Pdf for the 1H and 13C NMR spectra of the compounds whose synthesis is reported in "Sub-organellar mitochondrial hydrogen peroxide observed using a SNAP tag targeted coumarin-based fluorescent reporter" published in Redox Biology 2025 (https://doi.org/10.1016/j.redox.2025.103502). Compounds were prepared by Dr Stuart T. Caldwell and Dr Nikki L. Sloan in the laboratory of Prof. Richard C. Hartley, University of Glasgow.  All raw data and processing files are included in folders labelled with the names and numbers used in the paper.  The data were acquired on Bruker AVIII 400 and AVIII 500 spectrometers and processed using Bruker Topspin software. The Mestre Nova (Mnova) file and pdf have all processed spectra compiled together.