ChemInform Abstract: Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks.

ChemInform ◽  
2010 ◽  
Vol 33 (9) ◽  
pp. no-no
Author(s):  
Jens Meiler ◽  
Martin Will
1985 ◽  
Vol 40 (3) ◽  
pp. 426-428 ◽  
Author(s):  
Hans Achenbach ◽  
Andreas Mühlenfeld ◽  
Dieter Hunkler

Since the usual 13C shift increments are not applicable for very highly substituted benzenes, the 13C NMR spectra of 3-O-ethyl-cyclopolic acid (1) and 2 were studied and fully analyzed. These results were essential for the structure elucidation of a number of new highly substituted phthalides recently isolated from cultures of Aspergillus duricaulis [3].


Author(s):  
Sašo Džeroski ◽  
Steffen Schulze-Kremer ◽  
Karsten R. Heidtke ◽  
Karsten Siems ◽  
Dietrich Wettschereck

ChemInform ◽  
2010 ◽  
Vol 32 (32) ◽  
pp. no-no
Author(s):  
Ramiro Araya-Maturana ◽  
Tomas Delgado-Castro ◽  
Wilson Cardona ◽  
Boris E. Weiss-Lopez

Author(s):  
Sašo Džeroski ◽  
Steffen Schulze-Kremer ◽  
Karsten R. Heidtke ◽  
Karsten Siems ◽  
Dietrich Wettschereck

2018 ◽  
Vol 69 (1) ◽  
pp. 64-69
Author(s):  
Liviu Birzan ◽  
Mihaela Cristea ◽  
Constantin C. Draghici ◽  
Alexandru C. Razus

The 1H and 13C NMR spectra of several 2,6-diheteroarylvinyl heterocycles containing 4-azulenyl moiety were recorded and their proton and carbon chemical shifts were compared with those of the compounds without double bond between the heterocycles. The influence of the nature of central and side heterocycles, molecule polarization and anisotropic effects were revealed. The highest chemical shifts were recorded for the pyrylium salts and the lowest at pyridines, but in the case of the pyridinium salts, the protons chemical shifts at the central heterocycle are more shielded due to a peculiar anisotropy of the attached vinyl groups.


Sign in / Sign up

Export Citation Format

Share Document