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. 2020 Jan 29;25(3):583. doi: 10.3390/molecules25030583

Table 1.

Assignment of the most characteristic bands in the FT-IR transmittance spectra of L. nobilis L. EOs based on literature [23,24,25] and spectra of reference compounds.

Wavenumber (cm−1) Assignment Relevant Constituent(s)
Zero order Spectrum 2nd Derivative Spectrum
Characteristic group vibrations
3440 - vs(OH) linalool, terpinene-4-ol, α-terpineol
3073; 2985 (sh) 3075; 2986 vs(=CH2 mono, 1,1) or vas(CH2) in cyclopropyl rings methyleugenol
α-, β-pinene, sabinene, spathulenol, linalool, limonene
2965; 2879 2967; 2879–2870 vas(CH3) 1,8-cineole
α-, β-pinene, sabinene, linalool, terpinene-4-ol
2947–2945 νs(CH3–C=) or (CH3)2–C–electronegative or (CH2) in cyclobutane 1,8-cineole, other unidentified
2925; 2853 (sh) 2924; 2853 vs(CH2) sabinene, linalool, β-pinene
1,8-cineole
2834 (sh) 2833 (Ar–CH2–O) or Ar–OCH3 methyleugenol, eugenol
2724 2725 –CHO unidentified
1730 1732 ν(C=O) α-terpinyl, bornyl, linalyl acetates
1713–1695 –C=O–OH or aryl –C(H)=O alkyl ketones (cyclic), aryl aldehydes
1655–1640 (br) 1660–1630 v(C=C) isolated or cyclic sabinene, linalool, methyleugenol
1514 1516–1514 v(C=C) (ring) methyleugenol, eugenol, p-cymene
1440–1510 1467–1465 v(C=C–C) (ring) or δ(CH2) methyleugenol, eugenol
p-cymene
Skeletal vibrations
1446 1445;1433 δs(CH2) cyclopropyl, cyclobutyl sabinene, spathulenol, α-, β-pinene
1375–1363 1377; 1364–1360 vs(CH3–C=O)
δs(CH3) gem
1,8-cineole, α-terpinyl acetate
1259; 1167–1155 1262–1258; 1155 vas(C–O–C) aromatic
vs(C–O–C) aromatic
v(O=C–O)
methyleugenol, eugenol
acetate esters
1080 1080 v(C–O–C) 1,8-cineole
1032 (sh) 1033–1031 vas(CH2–O–C=O) acetates of primary alcohols
1018 1017 α-pinene, γ-terpinene
995 985 δ(C–H) 1,8-cineole
920–916 (CH3)3–C–O or 5-membered cyclic ethers
887 ω (C–H)
γ (=CH2)
pinene
limonene
843
816 ω (C–H) p-cymene
801–797 δ(sp2 C–H)
770–764 δ(sp2 C–H)

ν, stretching vibration; δ, in plane deformation vibration; γ, out of plane deformation vibration ω, wagging vibration; sh, shoulder; br, broad.