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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]
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.
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 ...
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 ...
This page contains tables of azeotrope data for various binary and ternary mixtures of solvents. The data include the composition of a mixture by weight (in binary azeotropes, when only one fraction is given, it is the fraction of the second component), the boiling point (b.p.) of a component, the boiling point of a mixture, and the specific gravity of the mixture.
This effect causes NMR signals in a spectrum to be split into multiple peaks. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds.
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 ...