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We therefore decided to collect 1H and 13C chemical shifts of what are, in our experience, the most popular “extra peaks” in a variety of commonly used NMR solvents, in the hope that this will be of assistance to the practicing chemist. Experimental Section.
These tables can support you in identifying and separating NMR signals of impurities that might originate from residual solvents or from your reaction apparatus. Here we present the NMR shifts of the most commonly used solvents and impurities in organic synthesis measured in the 7 most frequently used deuterated solvents.
1997年10月17日 · NMR Chemical Shifts of Emerging Green Solvents, Acids, and Bases for Facile Trace Impurity Analysis. ACS Sustainable Chemistry & Engineering 2023 , 11 (14) , 5696-5725.
2016年2月19日 · The 1H and 13C NMR chemical shifts of 48 industrially preferred solvents in six commonly used deuterated NMR solvents (CDCl3, acetone-d6, DMSO-d6, acetonitrile-d3, methanol-d4, and D2O) are reported.
2010年4月16日 · Building upon the work of Gottlieb, Kotlyar, and Nudelman in the Journal of Organic Chemistry, signals for common impurities are now reported in additional NMR solvents (tetrahydrofuran- d8, toluene- d8, dichloromethane- d2, chlorobenzene- d5, and 2,2,2-trifluoroethanol- d3) which are frequently used in organometallic laboratories.
Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.
*HOD Peaks - NMR spectra of “neat” deuterated solvent always exhibit a peak due to H. 20 in addition to the residual solvent peak. When the exchange rate between H 0 and HDO is slow on the NMR timescale the water peak appears as two peaks, a singlet corresponding to H. 20 and a 1:1:1 triplet corresponding to HDO.
