JACS - Characterization Requirements for Routine Organic Substances Journal of the American Chemical Society Characterization Requirements for Routine Organic Substances. A. Sample Quality . For new substances, evidence of quality for the purified sample should be included.
Elemental analysis is sufficient.
B. Molecular Weight . Evidence of molecular weight should be provided, especially if elemental analysis was not performed. Low resolution MS data under conditions that minimize fragmentation are acceptable. C. Miscellaneous . Numerical listings of characteristic spectroscopic data should be included to support assigned structures, changes in functionality, unusual chromophores, properties, etc.