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Logic Puzzle #10: Deciphering the Fragment Pattern using 2D NMR Data … Solution

December 7, 2010
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs

Like any new process, it takes some practice to extract, understand and convert the information presented from a set of experimental NMR datasets into a fragment.

The only fragment that can accommodate the set of restrictions from a 1H-13C HSQC and HMBC is 2,3-dimethylbutane-1,1-diyl. The green arrows illustrate the 2-3JCH coupling responses extracted from an HMBC experiment.


2 Replies to “Logic Puzzle #10: Deciphering the Fragment Pattern using 2D NMR Data … Solution”

  1. Hello Adolfo,
    Thank you for asking good questions. I really appreciate our discussions on the elucidation process.
    If I understand you correctly, the puzzle does not report all the 1H-13C correlations, for example the CH-CH fragment. This was done intentionally in an attempt to mimic a realistic interpretation of an experimental HMBC. It is quite common to have HMBC data with missing or poorly resolved correlations.


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