Patent ID: 8779770

Claim:
A method for the determination of the molecular structure of a compound, the method comprising: a) obtaining one or more nuclear magnetic resonance spectroscopic measurements from the compound, wherein the one or more nuclear magnetic resonance spectroscopic measurements are selected from: X spectra, multidimensional X—X correlation experiments, multidimensional X—Y correlation experiments, nuclear Overhauser effect measurements, rotational Overhauser effect measurements, and a combination thereof; wherein X and Y refer to an active NMR nucleus, and wherein at least one of: the X—X correlation experiments and the X—Y correlation experiments, are selected from: 1-bond correlation experiments, 2-bond correlation experiments, multiple bond correlation experiments, and a combination thereof; b) determining internuclear distances from the nuclear magnetic resonance spectroscopic measurements; and c) inputting internuclear distances to a distance-geometry algorithm to determine the probable structure(s) of the compound, wherein the compound has a molecular weight of less than 2000 Daltons and is not a protein.