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Topic: NMR Tree Diagram  (Read 8581 times)

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Offline Goala

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NMR Tree Diagram
« on: October 23, 2011, 07:36:43 PM »
Hi Guys,

I have a tree diagram below. It is a ddd (doublet of doublets of doublets).

I was wondering how I would calculate the coupling constants between certain hydrogens. I know how to calculate the coupling constant between hydrogen A and hydrogen D, but I am unsure how to do so for the other hydrogens.

Please take a look at the tree diagram.

Offline ATMyller

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Re: NMR Tree Diagram
« Reply #1 on: October 24, 2011, 03:30:39 AM »
If Jab > Jac > Jad, then you just ignore any further splitting when calculating Jab or Jac because splitting is symmetrical.
Chemists do it periodically on table.

Offline Goala

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Re: NMR Tree Diagram
« Reply #2 on: October 24, 2011, 03:26:03 PM »
Great, this is awesome, thanks a lot for the *delete me*

There is one thing I am very confused about... I have honestly spent the past two weeks working on this problem and have still not been able to figure it out!

I have the compound shown below with its corresponding NMR spectrum. I have been able to draw a stick/tree diagram in relative ease for Hydrogens A and B and calculate the corresponding coupling constants... but for Hydrogen C or D... I have NO clue where to start.

I was shown some of my work below. Please, if anyone can help this would be greatly appreciated!

Thanks!

Offline Goala

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Re: NMR Tree Diagram
« Reply #3 on: October 25, 2011, 12:14:22 PM »
To simplify my question... for the chemical shift seen for the hydrogen bonded to carbon number three where I drew a line... how would the coupling constants look? Please look at picture below.

I know the signal is a ddd.... but the coupling constants don't add up! The outer two coupling constants are larger in value than the inner ones!

Could someone help me with this please?

Offline ATMyller

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Re: NMR Tree Diagram
« Reply #4 on: October 27, 2011, 03:50:36 AM »
While drawing the tree diagram, have you taken into consideration that the "brances" might cross eachother.
Chemists do it periodically on table.

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