CHEBI:179544 - 3-Methylbutyl 2-methylbutanoate

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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 3-Methylbutyl 2-methylbutanoate
ChEBI ID CHEBI:179544
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.268
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(=O)C(CC)C
ChEBI Ontology
Outgoing 3-Methylbutyl 2-methylbutanoate (CHEBI:179544) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-methylbutyl 2-methylbutanoate
Manual Xrefs Databases
453868 ChemSpider
HMDB0040157 HMDB
LMFA07010757 LIPID MAPS
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Registry Number Type Source
27625-35-0 CAS Registry Number ChemIDplus