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Attached Nitrogen Test by 13 C- 14 N Solid-State NMR Spectroscopy for the Structure Determination of Heterocyclic Isomers.

Rick W DornBrendan J WallSarah B FerenceSean R NorrisJoseph W LubachAaron J RossiniBrett VanVeller
Published in: Organic letters (2022)
Differentiation of heterocyclic isomers by solution 1 H, 13 C, and 15 N NMR spectroscopy is often challenging due to similarities in their spectroscopic signatures. Here, 13 C{ 14 N} solid-state NMR spectroscopy experiments are shown to operate as an "attached nitrogen test", where heterocyclic isomers are easy to distinguish based on one-dimensional nitrogen-filtered 13 C solid-state NMR. We anticipate that these NMR experiments will facilitate the assignment of heterocyclic isomers during synthesis and natural product discovery.
Keyphrases
  • solid state
  • small molecule
  • molecular docking
  • high throughput
  • computed tomography
  • magnetic resonance
  • genome wide
  • mass spectrometry
  • image quality