Transferring NMR assignments


The automatic assignment deduction from 2D spectra are applied only when the user makes a manual assignment to a multiplet box in the 1H spectrum and 2D peaks have been picked in 2D spectra. The automatic deductions are made only when there are no other peaks very close, so that correlations are clear. In those cases where there is more than one peak peak label per signal, you would need to delete the extra peak labels or use the 'Merge Peaks' feature (under the 'Peak Picking' scroll down menu) and re-do the assignment to the multiplet box in the 1H-NMR spectrum (to get the deduction). Let´s see how we can transfer assignments through datasets. 1st: Open for example a 1H, 13C and HSQC datasets and the applicable molecular structure in the same document.


2nd: Apply a Peak Picking in all the datasets and a Multiplet Analysis in the 1H-NMR spectrum:

transfer assignmetns-2

3rd: Make sure that you link all the spectra of the document from the Assignments table:

transfer assignmetns-3

4th: Make an assignment to a multiplet box in the 1H-NMR spectrum. In that case we have assigned the atom 2 to the multiplet box at 6.65 ppm:

transfer assignmetns-4

5th: And that´s all! Jump to the 13C and automatically you will find the applicable assignment:

transfer assignmetns-6

....and the same with the HSQC as you can see below:

transfer assignmetns-5


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