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CHEBI:180845 - Dimethylbenzyl carbinyl crotonate

ChEBI IDCHEBI:180845
ChEBI NameDimethylbenzyl carbinyl crotonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O2
Net Charge0
Average Mass218.296
Monoisotopic Mass218.13068
SMILESC/C=C/C(=O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C14H18O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h4-10H,11H2,1-3H3/b8-4+
InChIKeyOKLPIYCKVVLHCP-XBXARRHUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Dimethylbenzyl carbinyl crotonate (CHEBI:180845) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
(2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
Manual XrefsDatabases
HMDB0032227HMDB
17333946ChemSpider
Registry NumbersSources
CAS:93762-34-6ChemIDplus