EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39014 - (S)-sec-butylbenzene

ChEBI IDCHEBI:39014
ChEBI Name(S)-sec-butylbenzene
Stars
ASCII Name(S)-sec-butylbenzene
Last Modified27 July 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H14
Net Charge0
Average Mass134.222
Monoisotopic Mass134.10955
SMILESCC[C@H](C)c1ccccc1
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyZJMWRROPUADPEA-VIFPVBQESA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-sec-butylbenzene (CHEBI:39014) is a sec-butylbenzene (CHEBI:35097)
(S)-sec-butylbenzene (CHEBI:39014) is enantiomer of (R)-sec-butylbenzene (CHEBI:39013)
Incoming Relation(s)
(R)-sec-butylbenzene (CHEBI:39013) is enantiomer of (S)-sec-butylbenzene (CHEBI:39014)
IUPAC Name 
[(1S)-1-methylpropyl]benzene
Synonym  Source
(S)-(1-methylpropyl)-benzeneNIST Chemistry WebBook
Registry NumbersSources
Beilstein:2410138Beilstein
Beilstein:4655611Beilstein
CAS:5787-28-0NIST Chemistry WebBook
CAS:5787-28-0ChemIDplus