Additional pitfalls of using 1,1‐ADEQUATE for structure elucidation
Ryan D. Cohen, Josep Saurí, Chelsea A. Huff, Shane W. Krska, Gary E. Martin · Magnetic Resonance in Chemistry · 2016
1,1‐ADEQUATE is a powerful and robust NMR experiment to establish carbon–carbon connectivities using modest sample quantities when cryogenic probe technology is available. Yet potential pitfalls of applying this method are not widely appreciated, such as weak or missing 1JCC correlations in strongly coupled 13C‐13C AB spin systems and unusually large multi‐bond (nJCC) correlations associated with particular functional groups. These large nJCC correlations observed in 1,1‐ADEQUATE spectra could be mistaken for 1JCC correlations. Copyright © 2016 John Wiley & Sons, Ltd.