The collection contains 15,837 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 spectrum prediction tool. The magnetic field strength is 200 - 500 MHz.
Additional information:
- Chemical name
- Molecular formula
- Molecular weight
- Literature reference
- Solvent
- Standard
- Measurement condition
Availability: SpecInfo Database Software (ISBN 0-471-21895-2) on Sun/Solaris, sgi/IRIX or WindowsNT