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Topic: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help  (Read 6263 times)

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Offline mjb5676

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(S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« on: November 28, 2012, 08:30:52 PM »
I am currently annotating my 13C NMR of (S)-2-hydroxy-3-phenylpropanoic acid. I am confused about whether there are peaks from the solvent I used which was acetone-d6. I figure the multiplet to the right may be from the solvent. I have annotated it some, and trying to continue annotating it. If anyone could help me out a bit that would be awesome. Thanks.

Offline mjb5676

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #1 on: November 28, 2012, 08:54:48 PM »
I have the peak at ~41 to be carbon 3. And the peak at ~72 to be carbon 2.

Offline Dan

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #2 on: November 29, 2012, 02:45:20 AM »
I have the peak at ~41 to be carbon 3. And the peak at ~72 to be carbon 2.

I agree with that.

The peaks around 30 and 200 ppm are from (CD3)2CO.

For tables of solvent shifts, click here.
My research: Google Scholar and Researchgate

Offline sjb

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #3 on: November 29, 2012, 05:22:04 AM »
I have the peak at ~41 to be carbon 3. And the peak at ~72 to be carbon 2.

I agree with that.

The peaks around 30 and 200 ppm are from (CD3)2CO.

For tables of solvent shifts, click here.

See also http://dx.doi.org/10.1021/om100106e for a slightly updated version

Offline OC pro

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #4 on: November 29, 2012, 09:56:05 AM »
What do you want more? You have a very clean spectra. Congrats.

You wouldn´t have to open a new thread just for asking the shifts of Acetone-d6. Since you are working with it you should know it before you put it inside the NMR tube or google by yourself.

Offline mjb5676

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #5 on: November 30, 2012, 06:09:30 PM »
Thanks for your help everyone. I finished annotating it 2 days ago and it was correct. I appreciate the input.

Offline Babcock_Hall

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Re: (S)-2-hydroxy-3-phenylpropanoic acid C NMR Help
« Reply #6 on: November 30, 2012, 06:24:18 PM »
You might ask yourself why the peak near 30 ppm has the multiplet structure that it does.

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