Utilizing DFT calculations of 13 C-NMR and C1s XPS binding energies, our investigation offers complementary insights into the energy storage potential of strained norbornyl derivatives. It's noteworthy that establishing a direct correlation between 13 C-NMR chemical shifts and C1s XPS binding energies may pose challenges due to differences in mechanism and sensitivity to various factors. While the NMR technique is generally more accessible than XPS, the latter provides more precise information about energy storage capabilities. Therefore, comprehending the interplay between these techniques is paramount for unlocking innovative energy solutions. Ultimately, our findings illuminate the promising potential of strained hydrocarbons as energy storage materials in aviation fuels, paving the way for cleaner and more sustainable energy solutions within the aviation industry.