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CHEBI:192920 - Isobutyl cinnamate

ChEBI IDCHEBI:192920
ChEBI NameIsobutyl cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O2
Net Charge0
Average Mass204.269
Monoisotopic Mass204.11503
SMILESCC(C)COC(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
InChIKeyIQZUZPKOFSOVET-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Isobutyl cinnamate (CHEBI:192920) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
2-methylpropyl (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
680686ChemSpider
Registry NumbersSources
CAS:122-67-8ChemIDplus