The data presented in this article is related to the research article entitled, “13C NMR Chemical Shift Assignments of Nitrated Benzo[a]pyrenes based on Two-dimensional Techniques and DFT/GIAO Calculations”, Kefa K. Onchoke, PeerJ., . The NMR spectral profiles of nitrated benzo[a]pyrenes is presented. Further, the article describes elution profiles of 1-, 3- and 6-NBaP, the acquisition of 1H and 13C NMR data and the J-Coupling constants (which are useful for the assignment of peaks via 2D HMQC and HMBC techniques). The data presented is useful for developing structure-activity relationships for other nitrated polycyclic aromatic hydrocarbons (NPAHs)
K.K. Onchoke, Data on GC/MS elutionproﬁle,1H and 13C NMR spectra of 1-, 3-, and 6-Nitrobenzo[a]pyrenes, Data in brief, https://doi.org/10.1016/j.dib.2019.104995
Tell us how this article helped you.