Small Molecule Structure Elucidation

CMC-se is a NMR software package for simple and efficient structure elucidation of small molecules.

With its innovative approach, CMC-se accelerates the spectroscopist’s workflow during the elucidation process by automating many of the key analysis and interpretation steps. In combination with Bruker’s AVANCE™ NMR spectrometer product line, CMC-se is the only elucidation tool that integrates high quality NMR data acquisition with sophisticated software analysis.CMC-se further expands its capabilities to full data set structure verification. The use of long range correlations adds an extra layer of confidence, producing results with maximum reliability.

CMC-se is available for the major operating systems: Windows®, Linux® and Mac OS® X.


CMC-se is integral part of TopSpin installation, which may be downloaded here.

  • Simple and efficient structure elucidation of small molecules in drug discovery and natural products research
  • Automates many of the necessary analysis and interpretation steps
  • Seamless integration of NMR acquisition and sophisticated software analysis
  • Unique in class for its robustness, tolerates mistakes in the data by eliminating invalid correlations
  • Flexible interface allows the user to introduce any previous or acquired knowledge about the structure, dramatically decreasing the structure calculation time
  • Enables both accomplished researchers and beginners to expedite the elucidation of unknown substances in diverse pharmaceutical and chemical applications
  • Organizes the data for a molecule into a single project, and provides unique graphical tools for data visualization and interpretation
  • Results are  structures with chemical shift assignments and atoms correlations, in electronic format, ready to be reported or exported