The NMRanalyst software reliably analyzes NMR data. The FindIt module of the AssembleIt program is a powerful dereplication tool. Often FindIt identifies an unknown as one of its 8 million known structures. Even when no exact match is found, close matches likely identify size, compound class, and functional groups of the unknown. The AssembleIt program can proceed to a full structure elucidation. In contrast to molecular formula based generators, the AssembleIt structure elucidation only requires NMR results as input. Traditionally, a structure elucidation employs a 1D carbon survey spectrum. But its acquisition takes longer than the remaining structure elucidation spectra combined. So newer applications derive carbon (and nitrogen) information from the F1 dimension of gHSQC and gHMBC spectra, which are faster to acquire.

AssembleIt Structure Elucidations

FindIt Structure Identifications