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CHEBI:197062 - tert-butyl p-Toluate

ChEBI IDCHEBI:197062
ChEBI Nametert-butyl p-Toluate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCc1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)11(13)14-12(2,3)4/h5-8H,1-4H3
InChIKeyGRUSXPIAJWRLRQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
tert-butyl p-Toluate (CHEBI:197062) is a benzoate ester (CHEBI:36054)
IUPAC Name 
tert-butyl 4-methylbenzoate
Manual XrefsDatabases
9804494ChemSpider
HMDB0258839HMDB