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CHEBI:188537 - 1-[2-Bromo-1-(trifluoromethoxy)ethyl]-4-(2-methyl-2-propanyl)benzene

ChEBI IDCHEBI:188537
ChEBI Name1-[2-Bromo-1-(trifluoromethoxy)ethyl]-4-(2-methyl-2-propanyl)benzene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16BrF3O
Net Charge0
Average Mass325.168
Monoisotopic Mass324.03366
SMILESCC(C)(C)c1ccc(C(CBr)OC(F)(F)F)cc1
InChIInChI=1S/C13H16BrF3O/c1-12(2,3)10-6-4-9(5-7-10)11(8-14)18-13(15,16)17/h4-7,11H,8H2,1-3H3
InChIKeyQTXQBUSBVWSMMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
1-[2-Bromo-1-(trifluoromethoxy)ethyl]-4-(2-methyl-2-propanyl)benzene (CHEBI:188537) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
1-[2-bromo-1-(triluoromethoxy)ethyl]-4-tert-butylbenzene
Manual XrefsDatabases
65327713ChemSpider