CHEBI:189268 - 4-tert-Butylcyclohexyl acetate

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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 4-tert-Butylcyclohexyl acetate
ChEBI ID CHEBI:189268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey MBZRJSQZCBXRGK-UHFFFAOYSA-N
SMILES O(C1CCC(C(C)(C)C)CC1)C(=O)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-tert-Butylcyclohexyl acetate (CHEBI:189268) is a carboxylic ester (CHEBI:33308)
IUPAC Name
(4-tert-butylcyclohexyl) acetate
Manual Xref Database
33188 ChemSpider
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Registry Number Type Source
32210-23-4 CAS Registry Number ChemIDplus