Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Revista CENIC, Ciencias Fisicas called Chemical shifts and JC13-H coupling constants in 5-substituted furfurals, Author is Rodriguez, M.; Gra Rios, Rafael, which mentions a compound: 2689-65-8, SMILESS is IC1=CC=C(O1)C=O, Molecular C5H3IO2, Name: 5-Iodo-2-furaldehyde.
The coupling constants between 13C and H were obtained from the PMR spectra of 5 substituted furfurals in 3M solutions in Me2SO. The charge ds. were calculated by using the Pariser Parr-Pople method. Good correlations were found for the chem. shifts for the H atom except for the 3 position. Therefore in positions 4 and α, the chem. shifts depend mainly of the π-electron d., whereas for the 3 position, the mesomeric effect of the substituent may be neglected. For the coupling constants there is a linear relation between JC13-Hα, JC13-H3 and the McDaniel and Brown (1958) constants σp and σm resp. For JC13-H4 vs. σp, the correlation is poor. The linear correlation between JC13-H3 and the chem. shifts for the H in position 3 implies that the chem. shifts in the 3 position are determined by electronic factors, mainly by variations in the σ-electron d.
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Reference:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem