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ACD/1D NMR Assistant Part 3-Structure Verification

The movie in this post will highlight the new structure verification feature available in ACD/1D NMR Assistant.

In the last posting, I highlighted the multiplet assignment preview (MAP) that provides users with input during the assignment process.

The purpose of this posting is to highlight another feature that is very unique in the NMR software world. ACD/1D NMR Assistant includes a structure verification algorithm that can help users quickly verify the consistency between a proposed chemical structure and a 1H NMR spectrum.

As you will see in the movie, in addition to providing a simple verification result, the software will automatically assign experimental multiplets (based on their chemical shifts, multiplet properties, and integration values) to protons in the chemical structure. Finally, if any inconsistencies exists they are clearly labeled on the structure and a detailed explanation is provided to focus the user on the specific area on the spectrum where the inconsistency exists.

If you can’t get the above video to work, or if you want a bigger version, click here to watch the demonstration of the structure verification feature in ACD/1D NMR Assistant.

Once again, this demonstration is for illustration purposes.