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CHEBI:132184 - 2-chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone

ChEBI IDCHEBI:132184
ChEBI Name2-chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
Stars
DefinitionAn aromatic ketone that is 1-(4-isopropylphenyl)-3-methyl-1-butanone in which one of the methylene hydrogens adjacent to the keto group has been replaced by a chloro group.
Last Modified7 December 2016
SubmitterKeeva
DownloadsMolfile
FormulaC14H19ClO
Net Charge0
Average Mass238.758
Monoisotopic Mass238.11244
SMILESCC(C)c1ccc(C(=O)C(Cl)C(C)C)cc1
InChIInChI=1S/C14H19ClO/c1-9(2)11-5-7-12(8-6-11)14(16)13(15)10(3)4/h5-10,13H,1-4H3
InChIKeyNXIZIZDUXMUGEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida DOT-T1E (ncbitaxon:1196325) - MetaboLights (MTBLS319)
ChEBI Ontology
Outgoing Relation(s)
2-chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone (CHEBI:132184) is a aromatic ketone (CHEBI:76224)
2-chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone (CHEBI:132184) is a α-chloroketone (CHEBI:51841)
IUPAC Name 
2-chloro-3-methyl-1-[4-(propan-2-yl)phenyl]butan-1-one
Manual XrefsDatabases
513104ChemSpider