Detailed assignments of ¹H and ¹³C NMR spectral data of 13 β‐substituted cycloenones

Abstract

Detailed assignments of (1)H and (13)C NMR spectral data for 13 beta-substituted cycloenones are reported. The assignments are based on 1D (1)H and (13)C NMR and on 2D shift-correlated ((1)H,(13)C-HMQC and HMBC), J-resolved and COSY and double irradiation experiments.

Separation and structural characterization of a synthetic cannabinoid found in a herbal product using off-line LC-DAD-NMR

“…NMR and LC-MS results indicated that, compared to compound 1, compound 2 contained the 5,5-dimethylcyclohex-2-enone ring instead of the 5,5-dimethylcyclohexanol ring. The NMR assignments of compound 2 (Table 2) are in accordance with the published reference data for the cyclohexenone ring 35 and the rest of the structure. The GC-MS analysis of compound 2 gave a spectrum in which the molecular ion M + _ at m/z 356, characteristic cleavage of C 7 H 15 from the 1,1-dimethyloctanyl chain, 3 and cleavage of methyl were monitored (Fig.…”