In this paper, Koelreuteria paniculata roots was taken as the research object, and its active substances were analyzed. First, Koelreuteria paniculata roots was crushed, dried, extracted, filtered, and concentrated by rotary evaporation. Then, the active substances of Koelreuteria paniculata roots were extracted with ethanol, benzene/ethanol, and methanol. Finally, Koelreuter was detected by GC-MS, FT-IR, TD-GC-MS, and TG analyses. Data analysis revealed that Koelreuteria paniculata roots contains oleic acid, linoleic acid, Lupinol, retinal, and other active substances that are of great value to medical, chemical, and food industries.