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Topic: C13 NMR Help  (Read 3218 times)

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Offline gbpackfan

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C13 NMR Help
« on: December 06, 2010, 07:47:05 PM »
Hi, I've been having some trouble interpreting this NMR of an unknown compound. From what I can gather theres 1 CH3, 3 CH2, and a C-O though I'm not entirely sure here. The compound can contain only C, O, H. The molecular mass of the compound is 116 and from the IR and MS I have I'm assuming its an alkane chain with an ester?
« Last Edit: December 06, 2010, 08:01:38 PM by gbpackfan »

Offline ardbeg

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Re: C13 NMR Help
« Reply #1 on: December 06, 2010, 10:45:26 PM »
why do you assume there are only 1 CH3 and 3 CH2 when there are 5 signals in that region of the spectrum?  You are probably correct that the peak at 170 ish is a C-O carbon, but what bond do you think will be between the carbon and the oxygen given the chemical shift?

Offline gbpackfan

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Re: C13 NMR Help
« Reply #2 on: December 06, 2010, 11:01:31 PM »
I assumed it was an ester because of the IR I had, I'll post it it below but theres an -OH absence.  My bad on missing the extra carbon in the initial region. I'll post the proton NMR as well, but from what I've got is it reasonable to conclude that the structure is:



?

It only contains C,O,H


Thanks

Offline ardbeg

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Re: C13 NMR Help
« Reply #3 on: December 07, 2010, 11:25:05 PM »
well you have the right molecular weight, the IR seems to match and you have interpreted both the NMR spectra correctly.  it would be my answer

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