I've got the C9 formula of a lignin sample, and calculated the percentages of each proton type from the 1H NMR spectra. Now how should I calculate the proton numbers per C9 formula? I need the specific calculation method, or the related references.
You know the lignin a polymer ,so the calculation in NMR not easily calculated . but if you have the integration of the hydroxy group (OH) in your H-NMR chart you can the calculate the no. of protons in your polymer .
Thank you very much!
I'd like to put the question more specific. For example, the C9 formular of lignin is
C9H12.5O3.7(OCH3)1.04, and the percentage of hydroxy proton calculated according to the integration is 10.5, how to calculate the no. of protons per C9 ?
Your welcome; if you have more than one OH group in your molecule then you divide 10.5 by 2 ,(10.5/2=5.25 ) this represent one proton value . By this way you can calculate the no. of protons present in your compound according to the integration .( i.e. total no. of protons in your molecule = integration of one proton times no. of protons) if the calculated values is approximately equal to the total integration in your molecules this prove that your sample structure is right. I hope you understand my point.
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