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CHEBI:77513 - 5-phenylundecane

ChEBI IDCHEBI:77513
ChEBI Name5-phenylundecane
Stars
DefinitionAn alkylbenzene comprising undecane substituted at position 5 by a phenyl group.
Last Modified12 March 2014
Submitterjhammock
DownloadsMolfile
FormulaC17H28
Net Charge0
Average Mass232.411
Monoisotopic Mass232.21910
SMILESCCCCCCC(CCCC)c1ccccc1
InChIInChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKeyRRPCXIBGXYGQNC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-phenylundecane (CHEBI:77513) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
undecan-5-ylbenzene
Synonyms  Source
(1-butylheptyl)benzeneChEBI
α-butylheptylbenzeneChEBI
Registry NumbersSources
Reaxys:4388912Reaxys
CAS:4537-15-9ChemIDplus
CAS:4537-15-9NIST Chemistry WebBook