Inversion of 1J(CC) correlations in 1,n-ADEQUATE spectra.

ADEQUATE experiments provide an alternative to the more commonly employed GHMBC experiment for the establishment of long-range heteronuclear connectivities. The 1,1-ADEQUATE experiment allows the unequivocal identification of both protonated and non-protonated carbon resonances adjacent to a protonated carbon. The 1,n-ADEQUATE experiment establishes correlations via an initial (1)J(CH) heteronuclear transfer followed by an (n)J(CC) out-and-back transfer, most typically, via three carbon-carbon bonds. Hence, the 1,n-ADEQUATE experiment allows the equivalent of (4)J(CH) heteronuclear correlations to be probed when they are not observed in a GHMBC spectrum. Aside from the lower sensitivity of the 1,n-ADEQUATE experiment relative to GHMBC experiments, the interpretation of the former is also complicated by the 'leakage' of (1)J(CC) correlations into the spectrum that must be identified. A method for the inversion of (1)J(CC) correlations to facilitate the interpretation of 1,n-ADEQUATE spectra is presented that allows a single experiment to be performed to access (1)J(CC) and (n)J(CC) correlation information.