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NMReDATA, a standard to report the NMR assignment and parameters of organic compounds

Abstract:

Even though NMR has found countless applications in the field of small molecule characterization, there is no standard file format available for the NMR data relevant to structure characterization of small molecules. A new format is therefore introduced to associate the NMR parameters extracted from 1D and 2D spectra of organic compounds to the proposed chemical structure. These NMR parameters, which we shall call NMReDATA (for nuclear magnetic resonance extracted data), include chemical shif...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted Manuscript

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Publisher copy:
10.1002/mrc.4737

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Publisher:
Wiley Publisher's website
Journal:
Magnetic Resonance in Chemistry Journal website
Volume:
56
Issue:
8
Pages:
703-715
Publication date:
2018-04-14
Acceptance date:
2018-03-25
DOI:
EISSN:
1097-458X
ISSN:
0749-1581
Pubs id:
pubs:831835
URN:
uri:4c93414a-f909-400d-9f5d-b84838c66420
UUID:
uuid:4c93414a-f909-400d-9f5d-b84838c66420
Local pid:
pubs:831835

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