Chemical entity formatting Identifier

If a structure has passed all the requirements thus far, one needs to determine if it can be derived from a plausible synthetic route. In other words, is it consistent with the reaction pathway and chemical entities present in the reaction vessel If additional structural information is required, it is necessary at this point to identify appropriate follow-up experiments. For example, if the stereochemistry at a chiral center is critical to the understanding of the system, nOe experiments may be useful to investigate spatial relationships. To improve the confidence level in a proposed structure, it may be necessary to synthesize the proposed structure using a well-established synthetic route and then repeat the NMR characterization on the synthesized compound. Comparing the proton and carbon spectra of the unknown with the known compound should confirm consistency of structure. Finally, the team should draw conclusions based on the identified structure, plausible synthetic routes, and ways to prevent its formation. 

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