CHEBI:189570 - 1,3-Diisopropylbenzene

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1,3-Diisopropylbenzene
ChEBI ID CHEBI:189570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H18
Net Charge 0
Average Mass 162.276
Monoisotopic Mass 162.14085
InChI InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3
InChIKey UNEATYXSUBPPKP-UHFFFAOYSA-N
SMILES C(C1=CC(C(C)C)=CC=C1)(C)C
Metabolite of Species Details
Klebsiella pneumoniae (NCBI:txid573) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 1,3-Diisopropylbenzene (CHEBI:189570) is a alkylbenzene (CHEBI:38976)
IUPAC Name
1,3-di(propan-2-yl)benzene
Manual Xrefs Databases
7170 ChemSpider
D97400 KEGG DRUG
HMDB0013806 HMDB
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Registry Number Type Source
99-62-7 CAS Registry Number ChemIDplus