<sup>1</sup>J<inf>CH</inf> NMR Profile: Identification of Key Structural Features and Functionalities by Visual Observation and Direct Measurement of One-Bond Proton-Carbon Coupling Constants

Núria Marcó, Alexandre A. Souza, Pau Nolis, Carlos Cobas, Roberto R. Gil, Teodor Parella

Research output: Contribution to journalArticleResearchpeer-review

13 Citations (Scopus)

Abstract

© 2017 American Chemical Society. A user-friendly NMR interface for the visual and accurate determination of experimental one-bond proton-carbon coupling constants (1JCH) in small molecules is presented. This intuitive 1JCH profile correlates directly to δ(1H), and 1JCH 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.
Original languageEnglish
Pages (from-to)2040-2044
JournalJournal of Organic Chemistry
Volume82
Issue number4
DOIs
Publication statusPublished - 17 Feb 2017

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