Chemical shifts of standard internal references

Wishart, et. al. (1995) Journal of Biomolecular NMR 6, 135-140.

Chemical Shifts (Relative to DSS) and Environmental Sensitivity of Common Internal 1H Standards.

Compound(conditions) Chemical shift(ppm) pH change Temp change
DSS (25C, D2O) 0.000 No (pH 2-11) No
TSP (25C, D2O, pH 7) -0.015 Yes No
TSP (25C, D2O, pH 3) 0.003 Yes No
Acetone (25C, D2O) 2.218 No (pH 2-11) No
Dioxane (25C, D2O) 3.750 No (pH 2-11) No
HDO (25C, D2O) 4.766 Yes (-2ppb/pH) Yes (-11.9ppb/C)


Chemical Shifts (Relative to DSS) of Common Internal 13C Standards.

Compound(conditions) Chemical Shift (ppm)
DSS (25C, D2O) 0.00
TSP (25C, D2O, pH 7) -0.12
TSP (25C, D2O, pH 3) -0.22
TMS (25C, MeOD) 1.7
Sodium Acetate (30C, 0.15M, pH 7.8) 26.1
Acetone (25C, D2O) 33.0
Dioxane (25C, 1% in D2O) 69.3
Dioxane (25C, 10% in D2O) 69.3
Dioxane (25C, 90% in D2O) 69.2