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A comparative analysis of vibrational spectra for odorant classification

Fig 4

Classification of odorant compounds based on their Vibrational Density of States (VDOS).

Each spectrum is labeled according to the compound numbers listed in Tables I and II. The spectra are color-coded by group to enhance visual distinction. Group A”: Benzoic acid, Acetophenone, Benzaldehyde. Group B”: methyl salicylate, (Z)-Methyl-p-methoxycinnamate, (E)-Methyl-p-methoxycinnamate. Group C”: Dimethyl disulfide, Dimethyl trisulfide. Group D”: (E,E)-α-farnesene, (E)-β-ocimene, linalool, (-)-β-Caryophyllene, (-)-α-Copaene, Caryophylladienol II, β-Bisabolene, (E)-α-Bergamotene, 6-Methylhept-5-en-2-one, (E)-Geranyl geraniol, Eucalyptol, Octanal, 3-Methyl-2-pentanone, Heptanal, Decanoic acid, d-Limonene. Group E”: Indole.

Fig 4

doi: https://doi.org/10.1371/journal.pone.0342845.g004