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DOC NMR Analysis

For those interested, here is a hi-res image of an 1H-NMR estimation of DOC:

NSFW:

8f16cd87ea.png



Actually the first time I ever generated something like this, I suppose it's interesting to compare and as help when you are getting confused analyzing.

Possibly its no use to the questions left in this thread though... it doesn't elucidate the_forsaken's spectrum obviously.
 
the_forsaken said:
yes, apparently... wasn't really keen to eat any tho haha, bit random for me ;)
Click to expand...
can you take mass? I think combination of this nmr+mass could identify this compound. although given the spectrum, the only plausible thing to me at the moment (except for unknown novel compounds) is very potent compound diluted with something inert
 
Cortexiphan said:
Looks pretty good to me. Shift, integrals and multiplicities all fit nicely, but it is hard to tell if you have a bromine or a chlorine in the 4-position without a reference spectrum.
Click to expand...

Actually, the close distance between the aromatic H's is consistent with a chlorine, about 0.1 ppm. The distance between the aromatic singlets is increased to 0.3 ppm for bromine, and for iodine it is about 0.6 ppm.
 
would it be possible for an NMR analysis to differ slightly between isomers of compounds which are the same.

For example Left isomer from Right isomer.
 
Psychonautical said:
would it be possible for an NMR analysis to differ slightly between isomers of compounds which are the same.

For example Left isomer from Right isomer.
Click to expand...

No, you can't distinguish enantiomers by simple NMR without some trickery (chiral shift reagents or solvents)
 
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