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CHEBI:169513 - 2-Phenylpropionaldehyde dimethyl acetal

ChEBI IDCHEBI:169513
ChEBI Name2-Phenylpropionaldehyde dimethyl acetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O2
Net Charge0
Average Mass180.247
Monoisotopic Mass180.11503
SMILESCOC(OC)C(C)c1ccccc1
InChIInChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKeyUFOUDYPOSJJEDJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Phenylpropionaldehyde dimethyl acetal (CHEBI:169513) is a benzenes (CHEBI:22712)
IUPAC Name 
1,1-dimethoxypropan-2-ylbenzene
Manual XrefsDatabases
HMDB0032468HMDB
56128ChemSpider
Registry NumbersSources
CAS:90-87-9ChemIDplus