CHEBI:179613 - 2-Methyloctan-4-one

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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 2-Methyloctan-4-one
ChEBI ID CHEBI:179613
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H18O
Net Charge 0
Average Mass 142.242
Monoisotopic Mass 142.13577
InChI InChI=1S/C9H18O/c1-4-5-6-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChIKey ICSKJDZASFIJQK-UHFFFAOYSA-N
SMILES O=C(CC(C)C)CCCC
ChEBI Ontology
Outgoing 2-Methyloctan-4-one (CHEBI:179613) is a ketone (CHEBI:17087)
IUPAC Name
2-methyloctan-4-one
Manual Xrefs Databases
455836 ChemSpider
LMFA12000124 LIPID MAPS
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Registry Number Type Source
7492-38-8 CAS Registry Number ChemIDplus