本文讨论了计算机在有机化合物红外光谱定量分析中的应用。对各种计算方法如最小二乘法、线性规划法、非线性规划法、坐标轮换法、共轭梯度法、修正矩阵法和因子分析法等都进行了讨论并比较了其计算结果。对单波长法、双波长法和三波长法以及信息论、系统论在分析化学中应用亦做了简要介绍。 This article discusses the use of computers in the quantitative analysis of infrared spectra of organic compounds. Various calculation methods such as least square method, linear programming method, nonlinear programming method, coordinate rotation method, conjugate gradient method, correction matrix method and factor analysis are discussed and their results are compared. On the single wavelength method, dual wavelength method and the three-wavelength method and the information theory, the system theory in the analytical chemistry also made a brief introduction.