Monday, September 20, 2010

Logic Puzzle #7: Almost Missed It … Solution

‘How many signals are present?’ is such a simple question, and yet, it is a fundamental question to an elucidator. Mistaken a signal or overlook one and the elucidator can run the risk of wasting time and effort.


The 13C [1H] NMR spectrum below shows 3 discernible signals that are attributed to the solvent CDCl3. In addition, one can begin to speculate on weaker signals; there might a fourth signal at ~77.2 ppm (most likely due to residual CHCl3), possibly a fifth at ~77.5 ppm, perhaps a sixth one at ~77.3 ppm and maybe more.


Logic#7PeakOverlapCDCl3_13Cc_Sept212010



The next step is to examine additional data and verify whether the ‘weak’ signals are real or not. This can include:


1. comparing the weak signals to other structural signals,


2. applying deconvolution/peak fitting to this region,


3. checking 2D NMR data,


4. acquiring data in a different solvent,


5. modifying the acquisition parameters to exclude the solvent or increase S/N, etc.



1 comment:

  1. Hi,
    I might be wrong, but I believe that the peak at 77.2ppm is due to residual CHCl3.
    By the way, congratulation on your blog.
    Cheers
    Manuel

    ReplyDelete