Ketone physics - structure, conformations, and dynamics of methyl isobutyl ketone explored by microwave spectroscopy and quantum chemical calculations

► Methyl isobutyl ketone has C1 symmetry and a similar geometry to isopropyl acetate. ► The acetyl methyl group shows internal rotation. ► Rotorsional spectrum was fitted with the programs XIAM and Erham. ► The calculated structure was validated by microwave spectroscopy.