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Structure Verification & Structure Revision
 
Structure Dereplication
 
 
 
 
 
340,554 Experimental Spectra
 
615,365,172 Predicted Spectra
 

I have ...
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The solution to your problem
 
A structure Proposal
A predicted 13C-NMR Spectrum
Use the CSEARCH-Robot-Referee
don't enter any lines
A Structure Proposal and
a 13C-NMR Peaklist
A Structure Verification
Use the gate io png
Enter as many lines as necessary
Optionally assign as many lines as possible
A 13C-NMR Peaklist
A Structure Proposal
Use the Spectral Similarity Search
You can use this feature directly from Bruker's TOPSPIN
A 13C-NMR Peaklist and
hundreds/thousands of Structure Proposals
A Hitlist sorted by Similarity
Use the CSEARCH-Decision Engine
 

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