Open Accesswww.nmrdb.org: Resurrecting and Processing NMR Spectra On-line
Author(s) -
Damiano Banfi,
Luc Patiny
Publication year - 2008
Publication title -
chimia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.387
H-Index - 55
eISSN - 2673-2424
pISSN - 0009-4293
DOI - 10.2533/chimia.2008.280
Subject(s) - nmr spectra database , nuclear magnetic resonance spectroscopy , spectral line , line (geometry) , carbon 13 nmr satellite , two dimensional nuclear magnetic resonance spectroscopy , fluorine 19 nmr , transverse relaxation optimized spectroscopy , molecule , chemistry , computer science , materials science , nuclear magnetic resonance , physics , organic chemistry , mathematics , geometry , astronomy
NMR spectroscopy is certainly the analytical methodology that provides the most information about a molecule but the long-term vision of this information is often lacking. We present here two innovative tools accessible free from the web. NMR assigner allows a chemical structure to be assigned to the corresponding NMR spectrum by simply drawing lines between atoms and automatically characterized signals. NMR resurrector allows NMR spectra to be recreated from published in-line experimental parts enabling the recovery of this lost knowledge.