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posted Mar 31 '10 at 06:09

Guga%20Hollows's gravatar image

Guga Hollows
11

comparing NMR data with the literature

Hi everyone,

I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NMR results do not exactly match with those reported in the literature? The solvent used in my experiment is exactly the same as the one used in the literature of reference (CD3OD), however the frequency applied in my experiment was 500MHz as opposed to 400MHz by the study i am comparing my results with.

For example, in my proton NMR spectra, my results are usually 0.08 to 0.26 ppm higher than that in the literature (e.g: 5.16 x 5.00; 7.51 x 7.25). In the carbon NMR, the results, the variation goes from 0.01 to 3.58 ppm.

I wonder, is that acceptable? can I still mention that my results are in agreement with those reported in the literature?

I have looked everywhere and i couldnt find whether there are variation limits for comparison of NMR data.

THANKSSSSSSSSSSSSSS!!!!

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No.1 Revision

posted Mar 31 '10 at 07:29

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

comparing NMR data with the literatureIs there a way to explain magnetic-field dependent chemical shift?

Hi everyone,

I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NMR results do not exactly match with those reported in the literature? The solvent used in my experiment is exactly the same as the one used in the literature of reference (CD3OD), however the frequency applied in my experiment was 500MHz as opposed to 400MHz by the study i am comparing my results with.

For example, in my proton NMR spectra, my results are usually 0.08 to 0.26 ppm higher than that in the literature (e.g: 5.16 x 5.00; 7.51 x 7.25). In the carbon NMR, the results, the variation goes from 0.01 to 3.58 ppm.

I wonder, is that acceptable? can I still mention that my results are in agreement with those reported in the literature?

I have looked everywhere and i couldnt find whether there are variation limits for comparison of NMR data.

THANKSSSSSSSSSSSSSS!!!!

click to hide/show revision 3
No.2 Revision

posted Mar 31 '10 at 08:45

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

Is Are there a way ways to explain magnetic-field dependent chemical shift?

Hi everyone,

I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NMR results do not exactly match with those reported in the literature? The solvent used in my experiment is exactly the same as the one used in the literature of reference (CD3OD), however the frequency applied in my experiment was 500MHz as opposed to 400MHz by the study i am comparing my results with.

For example, in my proton NMR spectra, my results are usually 0.08 to 0.26 ppm higher than that in the literature (e.g: 5.16 x 5.00; 7.51 x 7.25). In the carbon NMR, the results, the variation goes from 0.01 to 3.58 ppm.

I wonder, is that acceptable? can I still mention that my results are in agreement with those reported in the literature?

I have looked everywhere and i couldnt find whether there are variation limits for comparison of NMR data.

THANKSSSSSSSSSSSSSS!!!!

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