CHEBI:179615 - 4-Methyloctan-3-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 4-Methyloctan-3-one
ChEBI ID CHEBI:179615
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/c1-4-6-7-8(3)9(10)5-2/h8H,4-7H2,1-3H3
InChIKey NXWYGZOSQBYIAH-UHFFFAOYSA-N
SMILES O=C(C(CCCC)C)CC
ChEBI Ontology
Outgoing 4-Methyloctan-3-one (CHEBI:179615) is a ketone (CHEBI:17087)
IUPAC Name
4-methyloctan-3-one
Manual Xrefs Databases
124152 ChemSpider
LMFA12000128 LIPID MAPS
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Registry Number Type Source
20754-04-5 CAS Registry Number ChemIDplus