Wednesday, 25 March 2015

nmr spectroscopy - How to assign the signals in the H-NMR of Aspirin?


I need to assign the H-NMR of aspirin, below is aspirin with the H's labelled.



structure of aspirin


The peaks I have are:



  • 2.30ppm (I this is a singlet and would be F)

  • 7.07ppm (I think this is E)

  • 7.29ppm (I think this is D)

  • 7.53ppm (I think this is C)

  • 8.05ppm (I think this is B)

  • 11.44ppm (this is a singlet and would be A)



For B,C,D,E I need to say what kind of splitting pattern there would be and how many coupling constants are present and there approximate value. I think I know the assignments of them but I don't know the splitting pattern or coupling constants.


Would E and B be doublet of doublets because they couple with D and C so they would have ortho and meta coupling?


Would D and C be coupling with each other and B and E so would they be doublet of doublets of doublets, with two ortho and one meta coupling?




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