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A well-known commercial CASE system, StrucEluc, [20] also features a NMR based generator. This tool is from ACD Labs and, notably, one of the developers of MASS, Mikhail Elyashberg. COCON [21] is another NMR based structure generator, relying on theoretical data sets for structure generation. Except J-HMBC and J-COSY, all NMR types can be used ...
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
1-Aminopentane is an organic compound with the formula CH 3 (CH 2) 4 NH 2. It is used as a solvent , as a raw material in the manufacture of a variety of other compounds, including dyes, emulsifiers , and pharmaceutical products, [ 1 ] and as a flavoring agent .
Column J is the color scheme used by the molecular visualizer Jmol. [9] Column R is the scheme used by Rasmol; when two colors are shown, the second one is valid for versions 2.7.3 and later. [9] [10] Column P consists of the colors in the PubChem database managed by the United States National Institute of Health.
For esters such as ethyl acetate (CH 3 COOCH 2 CH 3), ethyl formate (HCOOCH 2 CH 3) or dimethyl phthalate that are based on common acids, IUPAC recommends use of these established names, called retained names. The "-oate" changes to "-ate." Some simple examples, named both ways, are shown in the figure above.
Download QR code; Print/export Download as PDF; ... move to sidebar hide. 3-Methyl-2-pentanone Names Preferred IUPAC name. 3-Methylpentan-2-one . Other names ...
The main structure of chemical names according to IUPAC nomenclature. IUPAC nomenclature is a set of recommendations for naming chemical compounds and for describing chemistry and biochemistry in general. The International Union of Pure and Applied Chemistry (IUPAC) is the international authority on chemical nomenclature and terminology.
It is not necessary to color-code atoms according to element in structure drawings but if done the conventions of the Jmol scheme should be used. Note, however, that the use of yellow ( ) for sulfur is not advised as it can cause accessibility problems on a white background. Within a given article, diagrams should be consistent, which means in ...