Deuterated compounds Dimethyl sulfoxide

Ri = N3, R.2 = H), and an equilibrium is observed in the case of the deuterated compound (59 Ri = R2 = N 02). Certain secondary amino-substituted compounds (59, 60 Rj =RNH, R2 = H) show solvent dependence of their equilibria solutions in dimethyl sulfoxide contain mainly form 59, whereas alcohols as solvents favor form 60. ... 

The H NMR and the 13C NMR spectra of niclosamide were obtained using a Bruker Instruments system operating at 300, 400, or 500 MHz (proton NMR), or at 75, 100, or 125 MHz (carbon NMR). Standard Bruker software was used to obtain DEPT, COSY, and BETCOR spectra. All measurements were obtained with the compound being dissolved in deuterated dimethyl sulfoxide (DMSO-d6). 

Fifolt [ 130] reported this chemical shift additivity method for fluorobenzenes in two deuterated solvents d6 acetone and d6 dimethyl sulfoxide (DMSO) Close correlations between experimental and calculated fluorine chemical shifts were seen for 50 compounds Data presented in Table 18 result from measurements in deuterochloroform as (he solvent [56] Fluorine chemical shifts calculated by this additivity method can be used to predict approximate values for any substituted benzene with one or more fluorines and any combination of the substituents, to differentiate structural isomers of multisubstituted fluorobenzenes [fluoromtrotoluenes (6, 7, and 8) in example 1, Table 19], and to assign chemical shifts of multiple fluorines in the same compound [2,5 difluoroamline (9) in example 2, Table 19] Calculated chemical shifts can be in error by more than 5 ppm (upfield) in some highly fluonnated systems, especially when one fluonne is ortho to two other fluorines Still, the calculated values can be informative even in these cases [2,3,4,6-tetrafluorobromobenzene (10) in example 3, Table 19]... 

The 1H NMR spectra of parbendazole was recorded with a JEOL-PS 100 NMR spectrometer operating at a frequency of 100 MHz and a magnetic field strength of 2.349 T. Spectra were determined over the region 10.8-0.0 parts per million (ppm), with a sweep time of 250 s. Chemical shifts were recorded as S (delta) ppm downfield from tetra-methylsilane (TMS). Proton noise and off-resonance decoupled 13C NMR spectra were measured on a JEOL FX 90Q Fourier Transform NMR spectrometer operating at 90 MHR and spectral width of 5000 Hz (220 ppm). All measurements were obtained with the compound being dissolved in deuterated dimethyl sulfoxide (DMSO-d6) for dT NMR and in deuterated trifluoroacetic acid (TFA-dx) for 13C NMR. 

The proton magnetic resonance spectrum (Figure 4) of cimetidine was recorded for a deuterated dimethyl sulfoxide solution containing approximately 100 mg/ml of the compound with tetramethylsilane as the internal standard. The spectrum illustrated was obtained using a Perkin-EImer R32 proton magnetic resonance (CW) spectrometer. The resonances are ... 

Most NMR experiments with resveratrol oligomers are performed in deuterated acetone. This solvent has proven itself ideal for this class of compounds due to the high degree of solubility of the resveratrol oligomers and the lack of overlap between the solvent and analyte peaks. The second most commonly employed solvent is deuterated methanol, with deuterated dimethyl sulfoxide and pyridine used only occasionally. In some cases the NMR spectra of some O-methyl and O-acetyl resveratrol oligomer derivatives have been collected in deuterated chloroform [51,57,93,103]. 

Sugars are very good candidates for the measurement of VCD as the more common ECD is dependent on a chromophore, which is almost always absent in this class of natural compounds. The examination of the VCD spectra of six common sugars revealed a chirality rule for the 1150 cm band in deuterated dimethyl sulfoxide. Later the FT-VCD spectra of the carbohydrates D-fucose, D-arabinose, D-ribose, D-galactose and D-glucose [25] and their isotopomers deuterated at the hydroxyl group were examined in the same solvent. Some useful correlations between structure and spectra are found, but also some deviations. 

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