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The Spectral Database for Organic Compounds (SDBS) is developed and maintained by Japan's National Institute of Advanced Industrial Science and Technology. 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.
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]
A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK. Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.
Deuterated solvents are a group of compounds where one or more hydrogen atoms are substituted by deuterium atoms. These isotopologues of common solvents are often used in nuclear magnetic resonance spectroscopy .
19 F NMR chemical shifts in the literature vary strongly, commonly by over 1 ppm, even within the same solvent. [5] Although the reference compound for 19 F NMR spectroscopy, neat CFCl 3 (0 ppm), [6] has been used since the 1950s, [7] clear instructions on how to measure and deploy it in routine measurements were not present until recently. [5]
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Deuterated chloroform, also known as chloroform-d, is the organic compound with the formula CDCl 3. Deuterated chloroform is a common solvent used in NMR spectroscopy. [2] The properties of CDCl 3 and ordinary CHCl 3 are virtually identical. Deuterochloroform was first made in 1935 during the years of research on deuterium. [3]
The following outline is provided as an overview of and topical guide to organic chemistry: . Organic chemistry is the scientific study of the structure, properties, composition, reactions, and preparation (by synthesis or by other means) of carbon-based compounds, hydrocarbons, and their derivatives.
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