Table 1.
The quantitative 1H NMR (qNMR) purity profile and the high-purity (>97% by qHNMR) of the BA product prove the high selectivity of CCC separation, being capable of selectively subtracting BA from chemically complex starting material. From the pharmacological perspective of the anti-adhesive bioassay, BA and its close analogues were removed with 99.48% efficiency in a single separation step.
| Compound | % | Identity | Reference resonances(s) | Number of Hydrogens |
|---|---|---|---|---|
| 1 | 97.47 | benzoic acid | 7.604a | 1 |
| 2 | 1.70 | benzoic acid analogue | 7.429−7.567 | 2 |
| 3 | 0.31 | benzoic acid analogue | 2.384 | 1 |
| 4 | 0.30 | scopoletin | 3.950 | 3 |
| 5 | 0.29 | impurity | 0.811−0.929 | 3 |
| 6 | 0.15 | impurity | 3.511 | 3 |
| 7 | 0.04 | impurity | 1.031 | 2 |
| 8 | 0.02 | impurity | 2.705 | 6 |
a
The signal at 7.604 ppm of the main component benzoic acid served as a reference signal set to an arbitrary integral value of 100. Percentages based on the assumption that all compounds possess a molecular weight close to that of Benzoic Acid.