CheD's HNMR expert is used to analyse HNMR spectra, create and exposure HNMR databases. Read-only version - CHEDEX (CHED Exposure) allows to exposure CheD's databases. PROTOS (PROTOn Spectra) is a database of real assigned spectra (300-500MHz). The total number of spectra is now 160,000 and it grows about 20,000 annually. HNMR expert capable to fulfill the next main functions:
1. Loading for comparison experimental HNMR spectra in Bruker Aspect 2000/3000, Bruker
Unix, JCAMP formats
2. Fast Fourier transformation, Phase correction, Integral.
3. Prediction and assignment.
4. Plotting and viewing.
5. Export into graphic file
6. Search by Structure/Substructure, HNMR peak table (chemical shifts and JJ
coupling constants), text and numerical fields.
Prediction file, created from PROTOS, can be obtained separately from database. This will allow to predict and assign HNMR spectra.
DEMO version is available.