Table 4.
Assigned 1H NMR resonances with chemical shifts (δ, ppm), proton homonuclear scalar couplings (J, Hz) and signal multiplicity of identified metabolites in Mexican mezcals, showing in each case the assigned shifts within the molecular reduced formula.
| Molecular Reduced Formula (Assigned 1H in Red) | (δ, ppm), J (Hz), Multiplicity |
 Acetaldehyde |
δ = 9.55 ppm, J = 2.82 Hz, quartet |
 5-substituted furanaldehyde and 2-furfural |
δ = 9.37 ppm, singlet δ = 9.19 ppm, singlet |
 2-furfural |
δ = 7.97 ppm, multiplet |
 2-furfural |
δ = 7.34 ppm, multiplet |
 Phenethyl alcohol |
δ = 7.17 ppm, J = 7.47 Hz, multiplet |
 Phenethyl acetate |
δ = 7.09 ppm, J = 7.48 Hz, multiplet |
 2-furoic acid |
δ = 6.54 ppm, J = 3.6 Hz/1.57 Hz, doublet of doublets |
| Molecular Reduced Formula (Assigned 1H in Red) | (δ, ppm), J (Hz), Multiplicity |
 (Furan-2-yl)-methanol |
δ = 6.24 ppm, J = 3.3 Hz, doublet |
 Acetate |
δ = 3.99 ppm, J = 7.2 Hz, quartet |
 1-butanol |
δ = 1.54 ppm, J = 6.67 Hz, multiplet |
 2-butanol |
δ = 1.49 ppm, J = 6.67 Hz, multiplet |
 2-methylpropan-1-ol |
δ = 1.38 ppm, J = 7.1 Hz, heptuplet |