![]() 1H-NMR prediction, based on additive rules and functional group lookup methods, described in Pretsch, Clerc, Seibl, Simon, 'Tables of Spectral Data for Structure Determination of Organic Compounds', 2ed., 1989, Springer-Verlag.13C-NMR prediction, based on Bremser W, Mag.Can generate 3-D structures with the help of the external program BUILD3D.Can export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG).Can also read and write any format supported by the current release of OpenBabel.Can write MDL Molfiles, CML, ChemDraw(TM) XML text format. ![]()
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