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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.
Nuclear magnetic resonance crystallography (NMR crystallography) is a method which utilizes primarily NMR spectroscopy to determine the structure of solid materials on the atomic scale. Thus, solid-state NMR spectroscopy would be used primarily, possibly supplemented by quantum chemistry calculations (e.g. density functional theory ), [ 1 ...
The ratio of the "sample spectrum" to the "background spectrum" is directly related to the sample's absorption spectrum. Accordingly, the technique of "Fourier-transform spectroscopy" can be used both for measuring emission spectra (for example, the emission spectrum of a star), and absorption spectra (for example, the absorption spectrum of a ...
Vitamin B 6 Drug class Pyridoxal 5'-phosphate, the metabolically active form of vitamin B 6 Class identifiers Use Vitamin B 6 deficiency ATC code A11H Biological target enzyme cofactor Clinical data Drugs.com International Drug Names External links MeSH D025101 Legal status In Wikidata Vitamin B 6 is one of the B vitamins, and is an essential nutrient for humans. The term essential nutrient ...
NMR database (NMR = nuclear magnetic resonance) may refer to: Nuclear magnetic resonance spectra database, a collection of NMR spectra for a large number of compounds; Nuclear magnetic resonance database method, a strategy to identify the stereochemistry of certain chiral compounds
The following chart shows the solubility of various ionic compounds in water at 1 atm pressure and room temperature (approx. 25 °C, 298.15 K). "Soluble" means the ionic compound doesn't precipitate, while "slightly soluble" and "insoluble" mean that a solid will precipitate; "slightly soluble" compounds like calcium sulfate may require heat to precipitate.
Free induction decay (FID) nuclear magnetic resonance signal seen from a well shimmed sample. In Fourier transform nuclear magnetic resonance spectroscopy, free induction decay (FID) is the observable nuclear magnetic resonance (NMR) signal generated by non-equilibrium nuclear spin magnetization precessing about the magnetic field (conventionally along z).