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Updated: Dec 31, 2025

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
Published on: August 5, 2016
Data on GC/MS elution profile, 1H and 13C NMR spectra of 1-, 3-, and 6-Nitrobenzo[a]pyrenes
1Department of Chemistry & Biochemistry, Stephen F. Austin State University, Box 13006 - SFA Station, Nacogdoches, TX, 75962-13006, USA.
Abstract:
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, J. Chem. Sci. (2020) [1]. 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).
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