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Automatic assignment of 1 H-NMR spectra of small molecules

✍ Scribed by Cobas, C.; Seoane, F.; Vaz, E.; Bernstein, M. A.; Dominguez, S.; Pérez, M.; Sýkora, S.

Book ID
120997316
Publisher
John Wiley and Sons
Year
2013
Tongue
English
Weight
638 KB
Volume
51
Category
Article
ISSN
0749-1581

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## Abstract A reliable method of automatically assigning one‐dimensional proton spectra is described. The method relies on the alignment of the proton spectrum with an associated heteronuclear single‐quantum coherence (HSQC) spectrum, transferring the stoichiometry and couplings to the HSQC. The HS