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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.
Organic Compounds National Institute of Advanced Industrial Science and Technology (AIST), Japan Organic compounds Spectra:IR Raman MASS ESR 1 H NMR 13 C NMR SDBS No curated "SDBS". 34,000 Serum Metabolome Database: The Metabolomics Innovation Centre: found in blood serum "Serum Metabolome DB". 4,651 Solvent Selection Tool ACS Green Chemistry ...
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 ...
[1] [2] In physical and analytical chemistry, infrared spectroscopy (IR spectroscopy) is a technique used to identify chemical compounds based on the way infrared radiation is absorbed by the compound. The absorptions in this range do not apply only to bonds in organic molecules.
2-Bromopropane, also known as isopropyl bromide and 2-propyl bromide, is the halogenated hydrocarbon with the formula CH 3 CHBrCH 3. It is a colorless liquid. It is a colorless liquid. It is used for introducing the isopropyl functional group in organic synthesis . 2-Bromopropane is prepared by heating isopropanol with hydrobromic acid .
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 ...