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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]
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.
The difference between the chemical shift of a given nucleus in a diamagnetic vs. a paramagnetic environment is called the hyperfine shift.In solution the isotropic hyperfine chemical shift for nickelocene is −255 ppm, which is the difference between the observed shift (ca. −260 ppm) and the shift observed for a diamagnetic analogue ferrocene (ca. 5 ppm).
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 ...
In chemistry, a phenol ether (or aromatic ether) is an organic compound derived from phenol (C 6 H 5 OH), where the hydroxyl (-OH) group is substituted with an alkoxy (-OR) group. Usually phenol ethers are synthesized through the condensation of phenol and an organic alcohol ; however, other known reactions regarding the synthesis of ethers can ...
Solid-state 900 MHz (21.1 T [1]) NMR spectrometer at the Canadian National Ultrahigh-field NMR Facility for Solids. Solid-state nuclear magnetic resonance (ssNMR) is a spectroscopy technique used to characterize atomic-level structure and dynamics in solid materials. ssNMR spectra are broader due to nuclear spin interactions which can be categorized as dipolar coupling, chemical shielding ...
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 ...