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In contrast, p -SCN-Bn-TCMC and p -SCN-Bn-DOTA demonstrated significantly higher 197m/g Hg radiochemical yields (100% ± 0 NMR (151 MHz, D 2 O, 25°C, pD 5 NMR (151 MHz, D 2 O, 25°C, pD 7 NMR (151 MHz, D 2 O, 25°C, pD 5 NMR (151 MHz, 25°C, D 2 O) δ 174 ) and 2D ( 1 H- 1 H COSY, 1 H- 13 C HSQC, and 1 H- 13 C HMBC) NMR spectra were obtained for both TCMC and p -SCN-Bn-TCMC (Supplementary Figures S1−S8 and Supplementary Figures S17−S24, respectively) as well as for their corresponding Hg 2+ complexes (Supplementary Figures S19−S16 and Supplementary Figures S25−S32, respectively) at different pH, herein the pH 7 coordination chemistry is discussed as it is biologically relevant and both pH’s gave comparable results