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A calibration model was developed to determine 13 chemical compounds of roasted coffee; 100 coffee samples from 10 coffee-producing departments were roasted in three different colorimetry degrees according to the Agtron/ SCA scale: 85 (light), 55 (medium), and 35 (dark) for a total of 300 samples. Alkaloids (caffeine, trigonelline, and theobromine), sugars (sucrose, glucose, and fructose), free fatty acids (palmitic, linoleic, oleic, stearic, arachidic), lipids, and total chlorogenic acids were determined from these samples by analytical chemistry. The results showed the chemical changes generated in the green coffee beans by the roasting process for the compounds studied. The t-student test was performed for reference and estimated data by the developed model; the evaluated compounds had a p-value greater than 0.05. This indicates that there is no difference between the mean values obtained by analytical chemistry and those obtained by NIRS technology; the relative prediction error for all compounds was less than 0.02%. The results indicated that NIRS (Near-Infrared Spectroscopy) is a reliable and reproducible technique to determine the 13 chemical compounds in roasted coffee.