ABSTRACT

In this problem, a quick look at HRMS allows the easy calculation of the molecular formula by using an on-line tool such as ChemCalc (Patiny and Borel 2013). The formula obtained is C14H12. The high unsaturation index 3 (nine) suggests the presence of aromatic rings. Although the infrared spectrum is quite simple, it supports this suspicion by showing absorption bands at the frequency of the Csp3 -H and Csp2 -H single-bond vibrations (2833–3065 cm–1) and Car-Car stretching bands at 1454 and 1485 cm–1. Although clearly visible, no useful information for determining substitution patterns can be extracted from the region of overtones and combination bands.