Theoretical n,n-DMT 1H and 13C NMR

[PsychoticPumpkin]

To whom it may concern,

I haven't seen a pure n,n-DMT NMR so I thought I would share a simulation of one.

I hope this may help someone out there.

 

[StrangeLoop]

Interesting, but I'm not really sure how this is useful unless someone was synthesizing DMT. I have access to NMR equipment although I won't be bringing a controlled substance into the lab so I can't verify your predictions. It would have been funny to bring the NMR chart in to my TA or professor last semester and get them to draw out the structure to see if they recognized it as being an illegal drug. :lol:

 

[benzyme]

NMR is more useful in stereochem, to determine the structural orientations.

that's not to say NMR isn't useful in this application, but LC/GC-MS is the more standard approach to analyzing the tryptamines.
MS detection also requires much less sample (micro/nanograms vs. milligrams)

 

[PsychoticPumpkin]

And now for Gramine!

These spectra were done with much better and newer computational software, I'll redo the n,n-DMT ones too for future reference value.

Gramine in vacuum

 

[burnt]

NMR predicting software often makes errors. No software has been able to replace the mind in interpreting NMR spectra.