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If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
Advanced Chemistry Development (ACD/labs) [1] is a chemoinformatics company which produces software for use in handling NMR data and predicting NMR spectra. ACD/Labs offers the Aldrich library as an add-on to their general spectrum processing software and specialized NMR software products.
This occurs most frequently in compounds that contain phosphorus or fluorine, as they are both spin-1/2 nuclei of 100% abundance. For example, the 1H signals for the protons in fluoromethane are split into a doublet by the fluorine atom; conversely, the fluorine-19 NMR spectrum of this compound shows a quartet due to being split by the three ...
Propyl propanoate (also known as propyl propionate and n-propyl propionate) is the organic compound with the molecular formula C 6 H 12 O 2. It is the ester of propanol and propionic acid. Like most esters, propyl propanoate is a colorless liquid with a fruity odor. The scent of propyl propionate is described as a chemically tinged pineapple or ...
Nuclear magnetic resonance (NMR) spectroscopy uses the intrinsic magnetic moment that arises from the spin angular momentum of a spin-active nucleus. [1] If the element of interest has a nuclear spin that is not 0, [1] the nucleus may exist in different spin angular momentum states, where the energy of these states can be affected by an external magnetic field.
Carbon satellites in physics and spectroscopy, are small peaks that can be seen shouldering the main peaks in the nuclear magnetic resonance (NMR) spectrum.These peaks can occur in the NMR spectrum of any NMR active atom (e.g. 19 F or 31 P NMR) where those atoms adjoin a carbon atom (and where the spectrum is not 13 C-decoupled, which is usually the case).
Pages in category "Isopropyl compounds" The following 200 pages are in this category, out of approximately 206 total. ... 6-Isopropyl-6-nor-lysergic acid diethylamide;
The SNIF-NMR analytical method was developed to detect the (over) sugaring of wine and enrichment of grape musts, and is mainly used to check the authenticity of foodstuffs (such as wines, spirits, fruit juice, honey, sugar and vinegar) and to control the naturality of some aromatic molecules (such as vanillin, benzaldehyde, raspberry ketone ...