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Chemical database managementSpectra managementChemical structure processor (editor)

NMRMSIR

NMR
 

ChemoSoft provide you
with the following NMR tools:

  • HNMR expert working with FID, JCAMP and Aspect 2000/3000 files (*.dx, *.250, *.300, *.500). Simulation and examination of spectra are possible.

HNMR expert. Creation of a corresponding field, spectrum processing and simulation.

  • HP-GL NMR utility allowing the processing of *.lsr and *.plt files intended for plotting NMR data on Hewlett-Packard printers. Spectra are stored together with structures in the same database.

HP-GL utility. Creation of a corresponding field and spectrum manipulation.

  • An instrument for manipulations with JCAMP files. Spectra are stored together with structures in the same database.

JCAMP-NMR utility. Running the routine and spectrum processing.

  • Useful routines including ones for spectrum simulation [on carbon, nitrogen, etc nuclei, based on predefined chemical shifts and coupling constants] and examination.

Spectrum simulation utility. Running the routine and 13C NMR spectrum simulation.

  • Predictions of certain 1H and 13C NMR parameters for a single structure either drawn or uploaded from a file.

Prediction of NMR parameters. Running a routine and prediction of 1H NMR chemical shifts.

The variety of tools above along with the support of spectrum databases and their integration with substance databases (data warehousing) gives you flexible possibilities for the successful solution of your tasks. If you need more, just contact us.

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