The collection contains 22,503 unreduced HNMR spectra of organic compounds and chemical structures. The data resulted from quality control in combinatorial synthesis and cover a wide range of compound classes.
The chemical shifts of the spectra are assigned to the corresponding atoms in the chemical structures. This is the basis of a powerful spectrumprediction tool. The magnetic field strength is 300 - 500 MHz.
Additional information:
Chemical name Molecular formula Molecular weight Literature reference Solvent Standard Measurement conditionAvailability: SpecInfo Database Software (ISBN 0-471-21895-2) on Sun/Solaris, sgi/IRIX or WindowsNT