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Dimethylbenzylamine is the organic compound with the formula C 6 H 5 CH 2 N(CH 3) 2. The molecule consists of a benzyl group, C 6 H 5 CH 2, attached to a dimethylamino functional group. It is a colorless liquid. It is used as a catalyst for the formation of polyurethane foams and epoxy resins.
While 1D NMR is more straightforward and ideal for identifying basic structural features, COSY enhances the capabilities of NMR by providing deeper insights into molecular connectivity. The two-dimensional spectrum that results from the COSY experiment shows the frequencies for a single isotope, most commonly hydrogen (1 H) along both axes.
The database contains also a smaller amount of NMR data from carbohydrates, cofactors and ligands. [1] These data are crossreferenced to 3D structures in the PDB when available. The NMR data are provided in the NMR-STAR file format and a number of format conversion tools are available at the site to convert files from NMR-STAR to other formats. [1]
Paramagnetic nuclear magnetic resonance spectroscopy refers to nuclear magnetic resonance (NMR) spectroscopy of paramagnetic compounds. [1] [2] Although most NMR measurements are conducted on diamagnetic compounds, paramagnetic samples are also amenable to analysis and give rise to special effects indicated by a wide chemical shift range and broadened signals.
The technique was first described in papers by Ad Bax, Mitsuhiko Ikura and Lewis Kay in 1990, [1] [2] and further experiments were then added to the suite of experiments. Many of these experiments have since become the standard set of experiments used for sequential assignment of NMR resonances in the determination of protein structure by NMR.
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]
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Benzylamine, also known as phenylmethylamine, is an organic chemical compound with the condensed structural formula C 6 H 5 CH 2 NH 2 (sometimes abbreviated as PhCH 2 NH 2 or BnNH 2).It consists of a benzyl group, C 6 H 5 CH 2, attached to an amine functional group, NH 2.