BACKGROUND: NUCLEAR MAGNETIC RESONANCE (NMR) IS A PHYSICAL PHENOMENON IN WHICH NUCLEI IN A MAGNETIC FIELD ABSORB AND RE-EMIT ELECTROMAGNETIC RADIATION. THIS ENERGY IS AT A SPECIFIC RESONANCE FREQUENCY WHICH DEPENDS ON THE STRENGTH OF THE MAGNETIC FIELD AND THE MAGNETIC PROPERTIES OF THE ISOTOPE OF THE ATOMS; IN PRACTICAL APPLICATIONS, THE FREQUENCY IS SIMILAR TO VHF AND UHF TELEVISION BROADCASTS (60–1000 MHZ). NMR ALLOWS THE OBSERVATION OF SPECIFIC QUANTUM MECHANICAL MAGNETIC PROPERTIES OF THE ATOMIC NUCLEUS. MANY SCIENTIFIC TECHNIQUES EXPLOIT NMR PHENOMENA TO STUDY MOLECULAR PHYSICS, CRYSTALS, AND NONCRYSTALLINE MATERIALS THROUGH NMR SPECTROSCOPY. NMR IS ALSO ROUTINELY USED IN ADVANCED MEDICAL IMAGING TECHNIQUES, SUCH AS IN MAGNETIC RESONANCE IMAGING (MRI).METHODS: DIFFERENT CYCLIC COMPOUND WITH VARIANT DERIVATE WAS OPTIMIZED BY B3LYP/6-311G THEN COMPUTED THE NMR CHEMICAL SHIFTS BY THE SAME METHOD AS OPTIMIZATION. RESULTS: THE EXPERIMENTAL AND THEORETICAL CHEMICAL SHIFTS OF EACH COMPOUND COMPARED WITH EACH OTHER’S. THE ROLE OF CHEMICAL MEDIA SUCH AS NUCLEOPHILIC AND ELECTROPHILIC DERIVATE HAS BEEN OBTAINED. CONCLUSION: IN EXPERIMENTAL NMR SPECTRUM THE CHEMICAL SHIFT OF CARBON AND HYDROGEN MAY HAVE CHANGED WHEN THE MEDIA OF THEM CHANGED SINCE THE ROLE OF SOME ELECTRON DONOR AND ELECTRON ACCEPTOR INTRODUCED THE NEAR FACT PLACE OF CHEMICAL SHIFT OF CARBON AND HYDROGEN IN THEORETICAL STUDY.