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. 2021 Nov 20;14(11):1189. doi: 10.3390/ph14111189

Table 1.

1H chemical shifts of CH2, CH, and OH protons and enol percentage. From [24] with permission from the American Chemical Society.

Compound/Chemical Shifts a and % Enol Diketo Enol OH % Enol
2,4-Pentanedione 3.58 5.50 15.34 79
2,4-Hexanedione 3.18 b 5.08 b 13.46 b 81
5-Methyl-3,5-hexanedione 3.57 5.50 14.92 80
2,2-Dimethyl-3,5-hexanedione 3.56 5.60 15.58 94
3,5-Heptanedione 3.66 5.66 15.04 76
3,5-Heptanedione 3.18 b 5.12 b 14.30 b 76
2-Methyl-3,5-heptanedione 3.57 5.50 14.92 88
2,2-Dimethyl-3,5-heptanedione 3.56 5.58 15.88 92
2,6-Dimetyl-3,5-heptanedione 3.60 5.50 15.50 94
2,2,6-Trimethyl-3,5-heptanedione 3.54 b 5.28 b 15.52 b 96
2,2,6,6-Tetramethyl-3,5-heptanedione 3.74 5.86 c c

a Chemical shifts in ppm from internal TMS. b Chemical shifts in ppm from external TMS. c No data given.