NMR-Controlled Vocabulary

Last uploaded: November 12, 2019
Preferred Name

chemical shift standard

Synonyms

chemical shift reference compound

Definitions

def: A compound that is added to an NMR sample to enable the alignment of spectra. The power of NMR is that for most nuclei the NMR frequency changes very slightly with different molecular environment or chemical bonding. These shifts are very small, on the order of 1 part in 10+9. This is referred to as "Chemical Shift." Tables of chemical shifts are tabulated and used to determine molecular structure. Combining NMR chemical shift information with other NMR information such as peak integration, coupling constants and Nuclear Overhauser Enhancement (NOE) can result in complete three-dimensional molecular structures of molecules in solution without using X-ray crystallography.

ID

http://nmrML.org/nmrCV#NMR:1400033

comment

def: A compound that is added to an NMR sample to enable the alignment of spectra. The power of NMR is that for most nuclei the NMR frequency changes very slightly with different molecular environment or chemical bonding. These shifts are very small, on the order of 1 part in 10+9. This is referred to as "Chemical Shift." Tables of chemical shifts are tabulated and used to determine molecular structure. Combining NMR chemical shift information with other NMR information such as peak integration, coupling constants and Nuclear Overhauser Enhancement (NOE) can result in complete three-dimensional molecular structures of molecules in solution without using X-ray crystallography.

bug-database

https://github.com/nmrML/nmrML/issues/33

https://github.com/nmrML/nmrML/issues/31

has_exact_synonym

chemical shift reference compound

label

chemical shift standard

prefLabel

chemical shift standard

source

http://www.nmrnotes.org/NMRPages/refcomps.html

subClassOf

http://nmrML.org/nmrCV#NMR:1400032

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