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

A user-friendly NMR interface for the visual and accurate determination of experimental one-bond proton-carbon coupling constants ((1)J(CH)) in small molecules is presented. This intuitive (1)J(CH) profile correlates directly to 8(H-1), and (l)J(CH) facilitates the rapid identification and assignment of H-1 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.