CHEBI:179936 - Isopropyl 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 Isopropyl 2-methylbutanoate
ChEBI ID CHEBI:179936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16O2
Net Charge 0
Average Mass 144.214
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKey DIRDKDDFAMNBNY-UHFFFAOYSA-N
SMILES O(C(=O)C(CC)C)C(C)C
ChEBI Ontology
Outgoing Isopropyl 2-methylbutanoate (CHEBI:179936) is a fatty acid ester (CHEBI:35748)
IUPAC Name
propan-2-yl 2-methylbutanoate
Manual Xrefs Databases
455530 ChemSpider
HMDB0039217 HMDB
LMFA07010920 LIPID MAPS
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Registry Number Type Source
66576-71-4 CAS Registry Number ChemIDplus