The analysis of spectroscopic data to solve chemical structures requires practical skills and drills. In this context, we have developed ULg Spectra, a computer-based tool designed to improve the ability of learners to perform complex reasoning. The identification of organic chemical compounds involves gathering and interpreting complementary information from mass, infrared, Raman, and nuclear magnetic resonance spectra. Here, special attention is paid to one-dimensional ¹H and ¹³C NMR spectra and to two-dimensional NMR spectra because these techniques particularly require extensive interactive data manipulation. ULg Spectra offers tutorial-drill materials, including spectra that are “authentic” in the sense that they contain solvent and impurity traces rather than being “idealized” spectra often found in textbook examples. A public version is accessible online free of charge. The exam results for two groups of students, one having used ULg Spectra for extra home-based training and the other not, were compared. Statistical data demonstrated higher performance for the “trained” students compared with the control group.

中文翻译：

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ULg Spectra：一种交互式软件工具，可提高大学生的结构分析技能

分析光谱数据以解决化学结构需要实践技能和演练。在这种情况下，我们开发了ULg Spectra，这是一种基于计算机的工具，旨在提高学习者执行复杂推理的能力。有机化合物的鉴定涉及从质量，红外，拉曼和核磁共振光谱中收集和解释补充信息。在此，要特别注意一维¹ H和¹³C NMR光谱和二维NMR光谱，因为这些技术特别需要大量的交互式数据操作。ULg Spectra提供了教程材料，包括在包含溶剂和杂质痕迹的意义上是“真实的”光谱，而不是教科书示例中经常出现的“理想化”光谱。可以免费在线获取公共版本。比较了两组学生的考试结果，一组使用ULg Spectra进行了额外的家庭培训，另一组则没有。统计数据显示，与对照组相比，“受过训练的”学生的表现更高。