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CHEBI:180402 - Isopropyl benzoate

ChEBI IDCHEBI:180402
ChEBI NameIsopropyl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O2
Net Charge0
Average Mass164.204
Monoisotopic Mass164.08373
SMILESCC(C)OC(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFEXQDZTYJVXMOS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropyl benzoate (CHEBI:180402) is a benzoate ester (CHEBI:36054)
IUPAC Name 
propan-2-yl benzoate
Manual XrefsDatabases
13065ChemSpider
HMDB0032038HMDB
Registry NumbersSources
CAS:939-48-0ChemIDplus