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CHEBI:143333 - 2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

ChEBI IDCHEBI:143333
ChEBI Name2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile
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Submittermwilliams
DownloadsMolfile
FormulaC15H18N2O
Net Charge0
Average Mass242.322
Monoisotopic Mass242.14191
SMILESCC(C)(C#N)c1cc(CO)cc(C(C)(C)C#N)c1
InChIInChI=1S/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3
InChIKeyPLEAQICJSGOGID-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile (CHEBI:143333) is a alkylbenzene (CHEBI:38976)