Dear,

Its easy to search on google.

From the UV data you could easily found that compound is saturated or not.

But from the 1H-NMR data you found lots of information about compound like how many numbers of hydrogen is there or how many types (having different environment) hydrogen is there?

It might be helpful in your case:

http://www.nmrdb.org/predictor/

You should review the following link below

Dear Roaa,

you might take a look at http://sdbs.db.aist.go.jp which is not a prediction, but a huge online database of NMR spectra searchable for chemistry and chemical shifts....

Kind regards

Alfred

Dear Roaa, 

Another good source for nmr spectra is the bmrb. 

See for example http://www.bmrb.wisc.edu/metabolomics/mol_summary/show_data.php?molName=caffeine&id=bmse000206&whichTab=1 

Here you can also access raw data of the experimental spectra and corresponding predictions. Just look for the tabs on the website I linked above.

Best regards, 

Stephan

http://www.bmrb.wisc.edu/metabolomics/mol_summary/show_data.php?molName=caffeine&id=bmse000206&whichTab=1