In this study, the main components and its contents of Compound Sodium Salicylate, Antipyrine and Caffeine Injection were analyzed by Raman spectroscopy Firstly, the Raman spectra of 62 Compound Sodium Salicylate, Antipyrine and Caffeine Injection samples were analyzed, and the results showed that the Raman spectra of 62 injection samples were mainly composed of the Raman spectra of sodium salicylate aqueous solution, antipyrine aqueous solution and caffeine aqueous solution Furthermore, the theoretical Raman spectra and infrared spectra of the main components were calculated by density functional theory, and compared with the experimental spectra of solid powder and aqueous solution, and then the vibration modes of Raman spectral peaks of Compound Sodium Salicylate, Antipyrine and Caffeine Injection were assigned Finally, the quantitative analysis models using the spectral characteristic peaks height or peaks area of sodium salicylate gradient solution and antipyrine gradient solution were established, respectively Then, the contents of sodium salicylate and antipyrine in 62 injection samples were predicted by the quantitative analysis models, and the predicted values were compared with those measured by liquid chromatography The results showed that the predicted values were close to the measured values The better content prediction results of main components were obtained The study can provide reference for the monitoring of drug quality, the research of drug spectrum analysis and the production of Compound Sodium Salicylate, Antipyrine and Caffeine Injection