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Anonymous Sun 03 Oct 21:05:42 2021 No.13712360 View Reply Original Report

Quoted By: >>13712444 >>13712469 >>13714288 >>13716493

What would happen if you were to reverse fourier transform an NMR spectra? Would you get the original compound?
And how would I reverse fourier transform a graph to get raw data?

Anonymous

Anonymous Sun 03 Oct 2021 21:32:06 No.13712444 Report

Quoted By: >>13712491

>>13712360
you would get a periodic repressentation on the combination of atomic magnetic resonaces of the mixture/compound. It would be meaningless most likely. But if you have the raw data in csv just use pandas to read the cvs into a data frame then and then df.to_numpy()
then np.fft.ifft() then ig you could plot

Anonymous

Anonymous Sun 03 Oct 2021 21:44:37 No.13712469 Report

Quoted By: >>13712491

>>13712360
You would just get back to the free induction decay signal that the spectrum is gained from?

Anonymous

Anonymous Sun 03 Oct 2021 21:52:55 No.13712491 Report

Quoted By: >>13712517

>>13712444
Checked
>It would be meaningless most likely
Fair enough. Would there be any cases where I would want to plot the raw data?
>>13712469
Yeah that makes sense. I was hoping it would give me some more info that would be useful for structure elucidation, but i realize now thats retarded and the point of the fourier transform in the first place

Anonymous

Anonymous Sun 03 Oct 2021 22:02:34 No.13712517 Report

Quoted By:

>>13712491
Idk if there is some extra data in FID. You can do hundreds different NMR experiments to help you with the structure, reaction kinetics, magnetic properties, etc.

Anonymous

Anonymous Mon 04 Oct 2021 12:24:09 No.13714288 Report

Quoted By:

>>13712360
With a good model and theory, you could get the compound from the spectrum, but it would require precise concentration in a ratio with a standard and making quantum chemistry calculation go the other way around. Raw signal then could be a good input for something like that.

Anonymous

Anonymous Tue 05 Oct 2021 00:50:06 No.13716493 Report

Quoted By:

>>13712360
bump for interest

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