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Peak range or other spectral characteristics — The user numerically enters data related to a spectra of an unknown compound. This data is used to for compounds which share the shifts within specified constraints. This allows users to locate the exact compound or molecules with similar functional groups.
2-Ethylphenol is an organic compound with the formula C 2 H 5 C 6 H 4 OH. It is one of three isomeric ethylphenols. A colorless liquid, it occurs as an impurity in xylenols and as such is used in the production of commercial phenolic resins. It is produced by ethylation of phenol using ethylene or ethanol in the presence of aluminium phenolate. [2]
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]
Polar AB Linear molecules CO Carbon monoxide: 0.112 HA x: Molecules with a single H HF Hydrogen fluoride: 1.86 A x OH Molecules with an OH at one end C 2 H 5 OH Ethanol: 1.69 O x A y: Molecules with an O at one end H 2 O Water: 1.85 N x A y: Molecules with an N at one end NH 3: Ammonia: 1.42 Nonpolar A 2: Diatomic molecules of the same element ...
Paramagnetic nuclear magnetic resonance spectroscopy refers to nuclear magnetic resonance (NMR) spectroscopy of paramagnetic compounds. [1] [2] Although most NMR measurements are conducted on diamagnetic compounds, paramagnetic samples are also amenable to analysis and give rise to special effects indicated by a wide chemical shift range and broadened signals.
Chemical shift δ is usually expressed in parts per million (ppm) by frequency, because it is calculated from [5] =, where ν sample is the absolute resonance frequency of the sample, and ν ref is the absolute resonance frequency of a standard reference compound, measured in the same applied magnetic field B 0.
In 2D NMR, signals are distributed across two frequency axes, providing improved resolution and separation of overlapping peaks, particularly beneficial for studying complex molecules. This technique identifies correlations between different nuclei within a molecule, facilitating the determination of connectivity, spatial proximity, and dynamic ...
Ethylphenol may refer to: 2-Ethylphenol; 3-Ethylphenol; 4-Ethylphenol; Ethyl phenyl ether (O-ethylphenol) This page was last edited on 12 March ...