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Spectroscopy on-line
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1  Department of Chemistry University of Potsdam

Abstract: Incremental calculation of 13C chemical shifts of substituted benzenes, pyridines, pyridazines, biphenyls, 2,2´- bipyridyls, naphthalines, quinolines with and without ortho correction and numerical as well as graphical output, a 1HWizard for interpretation of 1H NMR spectra, a small 13C NMR data bank and a Complete Line Shape Analysis simulation of the non-coupled AB-case. Further, a number of surveys concerning chemical shifts (1H, 13C, 11B, 15N, 17O, 31P, 19F), nJH,H coupling constants, NMR solvents (physical data and 1H/13C NMR spectra) and the Periodical Table of the NMR elements (nucleus data, NMR characteristics) can be employed for structural search
Keywords: n/a