Nuclear magnetic resonance observes small differences in molecular reactions to oscillating magnetic fields. It is able to characterize atoms with active nuclides that have a non-zero nuclear spin (e.g., C, H, O Cl, N, Cl), which makes it particularly useful for identifying certain isotopes. In typical proton or 13C NMR, the chemical shifts of protiums (1H) and carbon-13 atoms within a molecule are measured, respectively, as they are excited by a magnetic field and then relax with a diagnostic resonance frequency. With site specific natural isotope fractionation (SNIF) NMR, the relaxation resonances of the deuterium and 13C atoms. NMR does not have the sensitivity to detect isotopologues with multiple rare isotopes. The only peaks that appear in a SNIF-NMR spectra are those of the isotopologues with a single rare isotope. Since the instrument is only measuring the resonances of the rare isotopes, each isotopologue will have one peak. For example, a molecule with six chemically unique carbon atoms will have six peaks in a 13C SNIF NMR spectrum. The site of 13C substitution can be determined by the chemical shift of each of the peaks. As a result, NMR is able to identify site specific isotope enrichments within molecules.