Chemical Forums
Chemistry Forums for Students => Organic Chemistry Forum => Organic Spectroscopy => Topic started by: qw098 on March 26, 2012, 01:42:30 PM
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Hey Guys,
I was just wondering if there is a place on the internet which carries a database of 2D NMRs?
I know SDBS, a Japanese website, has a nice spectral database for compounds; I just put the compound name and it gives me their spectrum.
Is there a place I can find the same kind of set-up, but for 2D-NMRs?
Thanks!
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Not that I am aware of. You'd have to check the isolation paper or to write the original authors.
Hey Guys,
I was just wondering if there is a place on the internet which carries a database of 2D NMRs?
I know SDBS, a Japanese website, has a nice spectral database for compounds; I just put the compound name and it gives me their spectrum.
Is there a place I can find the same kind of set-up, but for 2D-NMRs?
Thanks!
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I don't see very many 2D NMRs being published as raw data, only the bits and pieces that the authors thought necessary for their peak assignments.
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Interesting... may I ask why that is the case (or at least a theory as to why)?
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My guess would be that it is because 2D spectra are rarely needed for identifying an unknown compound from scratch. They aren't really used for fingerprinting the way other spectra are. Instead they are used to attach specific signals in the 1D NMR to specific atoms in the structure, and are therefore used more as guides to interpreting the 1D NMRs. Once they are interpreted, it is enough to just give the peak assignments on the 1D spectrum. 2D spectra are really used most when you have a good idea of what most of the structure is but there are just one or two points that need to be cleared up, so the only part of the 2D spectrum that gets reported is the part that clears up those one or two points.
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Sweet, good point!