It is very difficult to characterize cyclohexane structures due to the presence of chair and boat conformers. These conformers are continuously converting into each other, and an intermediate form of them is observed. In this research, 1,4-dinitrocyclohexane-2,3,5,6-tetranitrate was synthesized and investigated for structural studies by 1H NMR in chloroform and dimethyl sulfoxide solvents. The very special structure of 1,4-dinitrocyclohexane-2,3,5,6-tetranitrate in the chair conformer was well observed in the chloroform solvent, and in this solvent, the chair conformer was observed without converting the two conformers. While in dimethyl sulfoxide solvent, no such special conformer was observed. This research showed that the choice of NMR solvent could affect the spatial structure of 1,4-dinitrocyclohexane-2,3,5,6-tetranitrate, and to observe the unique conformer of the chair, chloroform solvent is a suitable solvent.