hexafluorobenzene (CHEBI:38589)

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ChEBI Name	hexafluorobenzene

ChEBI ID	CHEBI:38589

Definition	A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C6F6

Net Charge

Average Mass

186.05462

Monoisotopic Mass

185.99042

InChI

InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

SMILES

Fc1c(F)c(F)c(F)c(F)c1F

Roles Classification
Chemical Role(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy.

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy.

ChEBI Ontology
Outgoing	hexafluorobenzene (CHEBI:38589) has role NMR chemical shift reference compound (CHEBI:228364) hexafluorobenzene (CHEBI:38589) has role NMR solvent (CHEBI:197449) hexafluorobenzene (CHEBI:38589) is a fluorobenzenes (CHEBI:35496) hexafluorobenzene (CHEBI:38589) is a fluorocarbon (CHEBI:38824)

IUPAC Name

hexafluorobenzene

Last Modified

20 March 2024