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 

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