amanbi99 Posted May 7, 2018 Posted May 7, 2018 How to Assign the structure from the following 1D and 2 D NMR spectra of a bacterial secondary metabolite. Molecular formula by MS was determined as C13H21N5O5 . IR absorptions were observed at 3220 and 1660 cm-1. I have uploaded the details : Structure Elucidation of biomolecules.pdf Please help, its really urgent. Thank you in Advance
hypervalent_iodine Posted May 7, 2018 Posted May 7, 2018 Could you perhaps detail what you have done and where you are stuck? To start with, what do the IR absorptions tell you? Have you calculated DBE?
amanbi99 Posted May 7, 2018 Author Posted May 7, 2018 No sir, I haven't. My professor gave it to me as a home work but I really cant figure it out. I have to submit the structure.
hypervalent_iodine Posted May 8, 2018 Posted May 8, 2018 Perhaps start with the questions I stated in my last post. How familiar are you with NMR?
amanbi99 Posted May 8, 2018 Author Posted May 8, 2018 I have little to no knowledge regarding this subject. Please help
hypervalent_iodine Posted May 8, 2018 Posted May 8, 2018 Then I suggest you start by rectifying that first. It is too much of a task for me to try and do so here, so it is best you consult a text book or Google.
BabcockHall Posted May 9, 2018 Posted May 9, 2018 Calculating the number of double bond equivalents (DBEs) is easy to do from the molecular formula, and doing so will give you some idea of the presence of double or triple bonds or rings that are present. As far as I can tell, the number of degrees of unsaturation is the same thing as the number of DBEs.
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