In order to understand the structure and performance of coal further, the Fourier transform infrared spectroscopy (FTIR), and Raman spectroscopy was used to analyze the structure of five kinds of bituminous coals(HY, HJ, BL, DJ and HK) in detail. It was expected that the results obtained by infrared and Raman technology research would bring a deeper understanding of spectral characterization of coals and also provided reliable guide for the subsequent research of coal and coal-like materials. It could be seen that there are obvious absorption regions in the wavenumber range of 3 200~3 600 cm^-1 through the infrared spectroscopy, in which the sample HJ was more obvious than the other four coals, mainly due to the effect of the —OH functional group and some N—H vibrations. However, due to the influence of free water or crystal water on this band, the judgment error would not be discussed here. At the band of 2 923 cm^-1, it could be observed that the peak of CH₂ antisymmetric stretching vibration was significantly higher than its symmetric stretching vibration. The reason that resulted in this phenomenon was there existeda large amount of aliphatic CH₂ carbon chain structure, then the potential of hydrogen liquefaction and application in the subsequent research of coal was huge. In the range of 1 000 to 1 800 cm^-1, oxygen-containing functional groups mainly included hydroxyl groups (alcohol hydroxyl groups and phenolic hydroxyl groups), carboxyl groups, carbonyl groups, etc. In order to characterize the coal structure more clearly, the relationship between the apparent aromaticity f_a(FTIR), (R/C)_u, H_al/H, A_ar/A_al and H/C atomic ratios of coal was studied. According to the calculation parameters, with the coal quality level increases, the aromatic hydrogen content in the coal increased, and the aliphatic hydrogen content decreased. In addition, comparing various structural parameters, found a linear relationship between f_a(FTIR), (R/C)_u and H/C atomic ratios, which could more accurately characterize coal rank. Raman spectroscopy was fitted by Origin 2018, and the deconvolution method was used to divide the spectrum into ten peaks, namely G, G_R+V_L+V_R, D, S, G_L, S_L, S_R and R. The relationship between the ratio of the peak area in different bands and the half-height width of the main peak with H/C atomic ratio were studied. The comparison showed that with the increase of the H/C atomic ratio, the A_D/A_G value generally shows a downward trend. It was indicated that the number of aromatic rings of the unit core in the basic structure of the coal sample increased with coalification and the degree of graphitization, which was consistent with the result of infrared spectroscopy. The comparison of the above results could prove that infrared and Raman spectroscopy were reliable methods for structure research of coal. On the basis of the above, a simple coal molecular model was constructed from them, which could provide a reference for the construction of coal molecular for simulation calculation.