I Lab Services 
The uncertainty of the predicted coupling, based on 95% confidence limits for the structure 
fragment.  Note that this is usually larger than the uncertainty of the predicted chemical shift. 
4.7  Search CNMR DB 
This tool allows you to search the 
13
C NMR database of over 2,017,000 observed chemical shifts 
for 165,000 structures. 
Each database entry contains: 
    
Chemical structure 
    
Formula 
    
Name 
    
Molecular weight 
    
Chemical shifts 
    
References 
You can perform searches according to the following parameters: 
    
Chemical substructure 
    
Structure 
    
Similar structure 
    
Formula 
    
Molecular weight 
    
Chemical shifts 
    
Name substring 
    
References 
4.8  Search HNMR DB 
This tool allows you to search the 
1
H NMR database of over 1,384,000 experimental chemical 
shifts and 449,000 experimental coupling constants for over 165,000 structures. 
Each database entry contains: 
    
Chemical structure 
    
Formula 
    
Name 
    
Molecular weight 
    
Chemical shifts 
    
Coupling constants 
    
References 
You can perform searches according to the following parameters: 
    
Chemical substructure 
    
Structure 
    
Similar structure 
ACD/I Lab via ChemSketch  
User's Guide 
31 






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