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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 ...
ChemAxon Name <> Structure – ChemAxon IUPAC (& traditional) name to structure and structure to IUPAC name software. As used at chemicalize.org; chemicalize.org A free web site/service that extracts IUPAC names from web pages and annotates a 'chemicalized' version with structure images. Structures from annotated pages can also be searched.
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.
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.
Other names Methyl sec-Butyl ketone. Identifiers CAS Number. ... 3-Methyl-2-pentanone (methyl sec-butyl ketone) is an aliphatic ketone and isomer of 2-hexanone. [2]
n-Butylamine is an organic compound (specifically, an amine) with the formula CH 3 (CH 2) 3 NH 2. This colourless liquid is one of the four isomeric amines of butane, the others being sec-butylamine, tert-butylamine, and isobutylamine. It is a liquid having the fishy, ammonia-like odor common to amines. The liquid acquires a yellow color upon ...
Because the S 2− anion has a subscript of 2 in the formula (giving a 4− charge), the compound must be balanced with a 4+ charge on the Pb cation (lead can form cations with a 4+ or a 2+ charge). Thus, the compound is made of one Pb 4+ cation to every two S 2− anions, the compound is balanced, and its name is written as lead(IV) sulfide .