Using I Lab via ChemSketch 

3.5 Logging In 

As soon as you register and activate your account, you can log in. 

1. From the I Lab menu, choose Login or click I Lab Login on the status bar. 

2. 

For Public I Lab:

 In the dialog box that appears, type your login name and password. 

For I Lab: Intranet Edition:

 You are instantaneously logged in to I Lab (skip the note and step 

3 below). 

Note 

In case you want to log in as a guest, simply click the corresponding button without 

providing any login or password. 

3. Click OK.  The confirmation dialog box will appear when you are successfully logged in to I 

Lab. 

Note 

If connection is not possible, an error message will appear in the dialog box.  You 

may have to try again later. 

4.  You are ready to select any one of the available calculations.  Choose the service you would 

like from the I Lab menu.  Keep in mind that a Confirm your request dialog box will appear 

(if the Ask confirmation for calculation request check box is selected in the I Lab Options 

dialog box see Section 2.2.2), in which you can select No, if you decide not to proceed. 

3.6 Calculating Properties 

3.6.1  Predicting a Spectrum 

1.  Draw a structure for which you want to predict a spectrum, for example, the following one: 

CH

3

CH

3

H C

3

CH

CH

3

3

2.  If there is more than one structure drawn in the workspace, select the required one. 

3. On the I Lab menu, point to NMR, and then choose the type of spectrum you want to 

calculate: HNMR, CNMR, PNMR, or FNMR.  For example, if you want to calculate the HNMR 

spectrum, choose HNMR Predictor: 

ACD/I Lab via ChemSketch  

User's Guide 

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