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. 2008;47(38):7328-31.
doi: 10.1002/anie.200802108.

Rapid analysis of organic compounds by proton-detected heteronuclear correlation NMR spectroscopy with 40 kHz magic-angle spinning

Donghua H Zhou  1 , Chad M Rienstra
Affiliations

Rapid analysis of organic compounds by proton-detected heteronuclear correlation NMR spectroscopy with 40 kHz magic-angle spinning

Donghua H Zhou et al. Angew Chem Int Ed Engl. 2008.
No abstract available

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Figures

Figure 1
Figure 1
HETCOR experiment on dosage form ibuprofen containing 3.8 mg active pharmaceutical ingredient (API). (a) 13C-1H 2D spectrum acquired in 33 min, 2 scans per row, recycle delay 3 s, t1max (13C) = 3.85 ms, with forward linear prediction to 7.7 ms, t2max (1H) = 5 ms. Lorentzian-to-Gaussian apodization was applied (200-to-400 Hz for 1H, 20-to-40 Hz for 13C) followed by sine bell apodization (with a 54° shift) for each dimension. Contours are drawn starting at 6 times the noise level, with a spacing factor 1.4. (b) Ibuprofen molecules showing labels and hydrogen bond length across the dimer (Cambridge Structural Database code IBPRAC02).[14]
Figure 2
Figure 2
HETCOR experiment on dosage form acetaminophen containing 5.5 mg API. (a) 13C-1H 2D spectrum acquired in 6 h with 2 scans per row, recycle delay 35 s. (b) 13C-1H 2D spectrum acquired in 18 h with 6 scans per row. Other parameters are the same as in Figure 1. The inset of (a) shows the molecule with labels.
Figure 3
Figure 3
Monoclinic acetaminophen in a unit cell. Viewed along the a axis; b-axis is horizontal, c-axis is vertical (Cambridge Structural Database code HXACAN07).[23]
See this image and copyright information in PMC

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