I have three different polycaprolactones - PCL (different amounts of branches). I had modified these PCL-s by chemical modification. I would like to see if the changes were made. Can I see in NMR using ACD Labs the differences? I am interested in automatic mode to see the appearance or disappearance of peaks on the spectra and automatic detection by comparing spectra before and after modification in ACD Labs. If someone knows how to do it, please share the steps. Thank you.
That is probably harder than you think. You could overlay the spectra easily enough - you could subtract them from each other but this assumes that all the peaks exactly line up and this is unlikely. You don't say how big the differences are (in terms or intensity or chemical shift) or the purity. All of these things will affect how you would try to do this.
Thank you for your answer, John.
I am wondering. Maybe you can give me advice. I am trying to find the digital database of NMR spectra of polymers that I can use in ACD/Spectrus Processor software for comparing the spectra. Have you any ideas?
Thank you!
Regards,
Vitalii
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