CHEBI:35097 - sec-butylbenzene

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ChEBI Name sec-butylbenzene ChEBI ID CHEBI:35097 ChEBI ASCII Name sec-butylbenzene Definition An alkylbenzene that is benzene substituted by a butan-2-yl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H14 Net Charge 0 Average Mass 134.21816 Monoisotopic Mass 134.10955 InChI InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 InChIKey ZJMWRROPUADPEA-UHFFFAOYSA-N SMILES CCC(C)c1ccccc1 ChEBI Ontology Outgoing sec-butylbenzene (CHEBI:35097) is a alkylbenzene (CHEBI:38976) Incoming (R)-sec-butylbenzene (CHEBI:39013) is a sec-butylbenzene (CHEBI:35097) (S)-sec-butylbenzene (CHEBI:39014) is a sec-butylbenzene (CHEBI:35097) IUPAC Name sec-butylbenzene Synonyms Sources (1-Methylpropyl)benzene KEGG COMPOUND 2-Phenylbutane KEGG COMPOUND s-butylbenzene NIST Chemistry WebBook sec-Butylbenzene KEGG COMPOUND secondary butylbenzene ChemIDplus Manual Xrefs Databases C14142 KEGG COMPOUND US2010317896 Patent US2011152577 Patent View more database links Registry Numbers Types Sources 135-98-8 CAS Registry Number NIST Chemistry WebBook 135-98-8 CAS Registry Number ChemIDplus 1903902 Reaxys Registry Number Reaxys 1903902 Beilstein Registry Number ChemIDplus 261109 Gmelin Registry Number Gmelin Citation Type Source 5073722 PubMed citation Europe PMC Last Modified 16 July 2015