NMR Deconvolution: Quantitative Profiling of Isomeric Mixtures

Lauren S. Lopansri, Jacob N. Letson, Richard A. O’Brien, David R. Battiste, David C. Forbes
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Abstract

A method involving NMR band deconvolution has been applied to the instructional/research activities at the undergraduate level. Three case studies are presented to illustrate how unresolved peaks of H and C NMR spectra can used to obtain quantitative data on isomeric composition. The data generation is rapid and the method can be applied to any organic chemistry laboratory curriculum/research program involving the analysis of NMR spectra. The incorporation of NMR band deconvolutions offers an ideal platform to transition from qualitative to quantitative discernment of NMR data.
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核磁共振反褶积:同分异构体混合物的定量分析
一种涉及核磁共振波段反褶积的方法已应用于本科阶段的教学/研究活动。三个案例研究提出,以说明如何解决峰的氢和碳核磁共振光谱可以用来获得定量数据的异构体组成。数据生成速度快,该方法可应用于任何涉及核磁共振光谱分析的有机化学实验室课程/研究计划。结合核磁共振波段反卷积为核磁共振数据的定性识别向定量识别过渡提供了一个理想的平台。
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