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On the Use of Deuterated Organic Solvents without TMS to Report ¹H/¹³C NMR Spectral Data of Organic Compounds: Current State of the Method, Its Pitfalls and Benefits, and Related Issues.

ABSTRACT: The quite popular, simple but imperfect method of referencing NMR spectra to residual ¹H and ¹³C signals of TMS-free deuterated organic solvents (referred to as Method A) is critically discussed for six commonly used NMR solvents with respect to their δ_H and δ_C values that exist in the literature. Taking into account the most reliable data, it was possible to recommend 'best' δ_X values for such secondary internal standards. The position of these reference points on the δ scale strongly depends on the concentration and type of analyte under study and the solvent medium used. For some solvents, chemically induced shifts (CISs) of residual ¹H lines were considered, also taking into account the formation of 1:1 molecular complex

SUBMITTER: Nazarski RB

PROVIDER: S-EPMC10254718 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature

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On the Use of Deuterated Organic Solvents without TMS to Report ¹H/¹³C NMR Spectral Data of Organic Compounds: Current State of the Method, Its Pitfalls and Benefits, and Related Issues.

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On the Use of Deuterated Organic Solvents without TMS to Report 1H/13C NMR Spectral Data of Organic Compounds: Current State of the Method, Its Pitfalls and Benefits, and Related Issues.

OmicsDI is part of the ELIXIR infrastructure

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On the Use of Deuterated Organic Solvents without TMS to Report ¹H/¹³C NMR Spectral Data of Organic Compounds: Current State of the Method, Its Pitfalls and Benefits, and Related Issues.