Quantum Calculation for Musk Molecules Infrared Spectra towards the Understanding of Odor

Figure 1

Odorants under study: macrocyclic musks (MCM): pentadecanolide (1), (R)-exaltolide (2), (S)-exaltolide (3), cis-globanone (4), and trans-globanone (5); polycyclic musks (PCM): (4S,7S)-galaxolide (6), (4S,7R)-galaxolide (7), indane (8), tetralin (9), and tonkene (10); nitromusks (NM): musk ketone (11), musk moskene (12), and musk ambrette (13); acyclic musks (ACM): romandolide (14), helvetolide (15), and cyclomusk (16); nonmusks: macrocyclic analogs (MCa) (17) and (18), acyclic analogs (Aa) (19) and (20), and nitro analogs (Na) (21), (22), and (23).