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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.
Xylyl bromide is an irritant and lachrymatory agent.It has been incorporated in chemical weapons since the early months of World War I.Some commentators say the first use was in August 1914, when the French attacked German soldiers with tear gas grenades, [2] [3] but the agent used in that incident was more likely to be ethyl bromoacetate, which the French had tested before the war.
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.
Benzyl bromide is an organic compound with the formula C 6 H 5 CH 2 Br. The molecule consists of a benzene ring substituted with a bromomethyl group. It is a colorless liquid with lachrymatory properties.
Benzyl alcohol is used effectively for treating lice infestations as the active ingredient in lotion shampoo with 5% benzyl alcohol. [12] Benzyl alcohol is an ingredient used in the manufacture of soaps, topical creams, skin lotions, shampoos, and facial cleansers and is popular due to its anti-bacterial and anti-fungal properties.
3-methyl-1-butanol or isoamyl alcohol or isopentyl alcohol primary 3-Methylbutan-1-ol: 131.2 2,2-dimethyl-1-propanol or neopentyl alcohol primary 2,2-Dimethylpropan-1-ol: 113.1 2-pentanol or sec-amyl alcohol or methyl (n) propyl carbinol secondary Pentan-2-ol: 118.8 3-methyl-2-butanol or sec-isoamyl alcohol or methyl isopropyl carbinol secondary
Triple resonance experiments are a set of multi-dimensional nuclear magnetic resonance spectroscopy (NMR) experiments that link three types of atomic nuclei, most typically consisting of 1 H, 15 N and 13 C. These experiments are often used to assign specific resonance signals to specific atoms in an isotopically-enriched protein.