1JCH NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct Measurement of One-Bond Proton-Carbon Coupling Constants

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• 作者：Núria Marcó ; Alexandre A. Souza ; Pau NolisCarlos Cobas ; Roberto R. Gil ; Teodor Parella
• 刊名：Journal of Organic Chemistry
• 出版年：2017
• 出版时间：February 17, 2017
• 年：2017
• 卷：82
• 期：4
• 页码：2040-2044
• 全文大小：366K
• ISSN：1520-6904

文摘

A user-friendly NMR interface for the visual and accurate determination of experimental one-bond proton-carbon coupling constants (¹J_CH) in small molecules is presented. This intuitive ¹J_CH profile correlates directly to δ(¹H), and ¹J_CH facilitates the rapid identification and assignment of ¹H signals belonging to key structural elements and functional groups. Illustrative examples are provided for some target molecules, including terminal alkynes, strained rings, electronegative substituents, or lone-pair-bearing heteronuclei.