Using I Lab via ChemSketch 

4. Click OK.  You should obtain the following: 

A

A

[O,S,Se,Te]

H C

CH

3

3

5. Click Atom Not in List 

 and specify the list of elements that should not be present for 

other groups of atoms: 

A

A

[O,S,Se,Te]

not[Br,Cl,F,I]

not[Br,Cl,F,I]

6.  Now we are going to define bonds.  Click Any Bond 

 and then on the bonds of the 

structure to get the following: 

A

A

Any Any

[O,S,Se,Te]

Any

Any

Any

Any

Any

not[Br,Cl,F,I]

not[Br,Cl,F,I]

7. Choose Ring Bond 

 and click the bonds to define them: 

A

Rn

A

Any Any

Rn

[O,S,Se,Te]

Any

Any

Any

Any

Any

not[Br,Cl,F,I]

not[Br,Cl,F,I]

8.  If there is more than one structure in the drawing area, select the required one by clicking near 

it with the Select/Move tool 

 active. 

9. On the I Lab menu, point to NMR, and then select the database you want to search through: 

ACD/I Lab via ChemSketch  

User's Guide 

24