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Hexamethylbenzene, also known as mellitene, is a hydrocarbon with the molecular formula C 12 H 18 and the condensed structural formula C 6 (CH 3) 6.It is an aromatic compound and a derivative of benzene, where benzene's six hydrogen atoms have each been replaced by a methyl group.
Proton nuclear magnetic resonance (proton NMR, hydrogen-1 NMR, or 1 H NMR) is the application of nuclear magnetic resonance in NMR spectroscopy with respect to hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of its molecules. [1]
A classic example is the 1 H-NMR spectrum of 1,1-difluoroethylene. [5] The single 1 H-NMR signal is made complex by the 2 J H-H and two different 3 J H-F splittings. The 19 F-NMR spectrum will look identical. The other two difluoroethylene isomers give similarly complex spectra. [6]
Its structure consists of a benzene ring substituted with a tert-butyl group. It is a flammable colorless liquid which is nearly insoluble in water but miscible with organic solvents. It is a flammable colorless liquid which is nearly insoluble in water but miscible with organic solvents.
Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents positioned symmetrically around the ring. The other two isomeric trimethylbenzenes are 1,2,4-trimethylbenzene (pseudocumene) and 1,2,3-trimethylbenzene (hemimellitene).
SDBS includes 14700 1 H NMR spectra and 13000 13 C NMR spectra as well as FT-IR, Raman, ESR, and MS data. The data are stored and displayed as an image of the processed data. Annotation is achieved by a list of the chemical shifts correlated to letters which are also used to label a molecular line drawing.
The properties of deuterated benzene are very similar to those of normal benzene, however, the increased atomic weight of deuterium relative to protium means that the melting point of C 6 D 6 is about 1.3 °C higher than that of the nondeuterated analogue. The boiling points of both compounds, however, are the same: 80 °C.
As for the wine or the fruit, the interpretation of results in terms of origin is done by comparison of the isotopic parameters of the sample analyzed with those from a group of referenced molecules of known origin. It appears that all the origins of vanillin are well discriminated using 2 H-NMR data. Particularly, vanillin ex-bean can well be ...