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Topic: Identifying chemical shift  (Read 2837 times)

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Offline xtheunknown0

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Identifying chemical shift
« on: April 24, 2011, 12:20:54 AM »
Hello,

I'm trying to do a question asking me for the expected chemical shifts of all proton environments for ethyl ethanoate. I've looked at a table of known chemical shift values but I can't map the one for CH2CH3. How do I do this part of the question?

TIA,
xtheunknown0

Offline kryptoniitti

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Re: Identifying chemical shift
« Reply #1 on: April 24, 2011, 05:36:35 AM »
It depends what kind of tables you are using because despite Shoolery's rule etc., the publisher might have different styles/sequences to add up the chemical shifts. E.g. this is how I would do it with my tables:

Chemical shift for CH3CH2 in ethyl ethanoate

table 1 delta value for methyl group protons
CH3-Y (search the table for the value  Y = -R [R = alkane chain])

table 2 effect of beta-substituents
CH3-C-Y (search the table for the value  Y = -OCOR)

So I need to incorporate some correction because of the ester. Check your tables and see how they work.

Also, look for the multiplicy of the signal in the spectra.

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