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CHEBI:77515 - 5-phenyldodecane

ChEBI IDCHEBI:77515
ChEBI Name5-phenyldodecane
Stars
DefinitionAn alkylbenzene comprising dodecane substituted at position 5 by a phenyl group.
Last Modified12 March 2014
Submitterjhammock
DownloadsMolfile
FormulaC18H30
Net Charge0
Average Mass246.438
Monoisotopic Mass246.23475
SMILESCCCCCCCC(CCCC)c1ccccc1
InChIInChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
InChIKeyNPAWGLOPXKCTCV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-phenyldodecane (CHEBI:77515) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
dodecan-5-ylbenzene
Synonyms  Source
α-butyloctylbenzeneChEBI
(1-butyloctyl)benzeneChEBI
Registry NumbersSources
Reaxys:2442659Reaxys
CAS:2719-63-3ChemIDplus
CAS:2719-63-3NIST Chemistry WebBook