Application of Hadamard spectroscopy to automated structure verification in high-throughput NMR.

@article{Ruan2009ApplicationOH,
  title={Application of Hadamard spectroscopy to automated structure verification in high-throughput NMR.},
  author={Ke Ruan and ShengTian Yang and Karey A Van Sant and John J Likos},
  journal={Magnetic resonance in chemistry : MRC},
  year={2009},
  volume={47 8},
  pages={693-700}
}
Combined verification using 1-D proton and HSQC has been proved to be quite successful; the acquisition time of HSQC spectra, however, can be limiting in its high-throughput applications. The replacement with Hadamard HSQC can significantly enhance the throughput. We hereby propose a protocol to optimize the grouping of the predicted carbon chemical shifts from the proposed structure and the associated Hadamard frequencies and bandwidths. The resulting Hadamard HSQC spectra compare favorably… CONTINUE READING