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Topic: Structure from NMR Spectrum!  (Read 3136 times)

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Offline Damaris

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Structure from NMR Spectrum!
« on: September 09, 2010, 11:18:18 AM »
Hej,

 I am having some problems with getting the structure from NMR spectrums.
 The spectrums are at:  http://www.flickr.com/photos/53718988@N05/

 From the NMR I was able to get:
 - a benzene ring, ortho disubstituted
 -an aldehyde group -CHO
 -the spectrum is registered in D2O, so it should be any signal for -OH,-NH or -SH
 -the signals at 60.577ppm in the C-NMR, are for two methoxy groups -0-CH3

 I am confused about the peaks at 5.2ppm, 4.6ppm and the group of peaks at 3.40-3.80ppm in the H-NMR

 I am not sure how to interpret the HMQC and HMBC spectrum? Do you have any ideas? ??? ???


Offline MissPhosgene

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Re: Structure from NMR Spectrum!
« Reply #1 on: September 13, 2010, 12:21:53 AM »
Did you make the molecule and if so how?
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Offline orgopete

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Re: Structure from NMR Spectrum!
« Reply #2 on: September 13, 2010, 08:39:13 AM »
What is the MF or what parts do you know?

I wouldn't assign any peaks to a carbon nmr unless the same peak is present in the proton nmr. For example, if there were two OCH3 groups, where are the singlets in the proton nmr?

Because the NMR has been run in D2O, I am concerned as to why and what is missing?

The prospective aldehyde peak is has a weak integral. I am reluctant to want to double everything to get an even hydrogen count. Is there a halogen or nitrogen present? What does the IR look like?
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