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Simulating a List of Peaks

The Spectral Database for Organic Compounds (SDBS) is a popular free database with thousands of nice NMR spectra. It is possible to simulate them, starting from the list of peaks, with iNMR. In this way you can see the spectra in detail, clearly, and compare them with your own spectra. The accuracy is the same as the accuracy of the database.

How to Synthetize a Spectrum:

Step 1

Go to the SDBS site. At this writing moment the address is:

Step 2

When you have found a spectrum, click the button “peak data”.

Step 3

Copy the list, including the header:
Hz ppm Int.

Step 4

Go to iNMR and choose Simulate > List of Peaks.

Any other list of peaks that comes in the same format can be visualized with iNMR. For example, you can write a short list of peaks by yourself. Each line will have an artificial width of 1.0 Hz.

You can use the same command to simulate 13-C spectra taken from the same database. The header is different in this case:
ppm Int. Assign.

The simulated documents can be saved with the command “File > Export”.

Related Topics

Measuring the Area by Fitting to a Model


“Export” means “Save a Copy As”