EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179910 - 3-Methylbutyl benzoate

ChEBI IDCHEBI:179910
ChEBI Name3-Methylbutyl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCC(C)CCOC(=O)c1ccccc1
InChIInChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyMLLAPOCBLWUFAP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methylbutyl benzoate (CHEBI:179910) is a benzoate ester (CHEBI:36054)
IUPAC Name 
3-methylbutyl benzoate
Manual XrefsDatabases
6925ChemSpider
HMDB0033380HMDB
Registry NumbersSources
CAS:94-46-2ChemIDplus