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CHEBI:173899 - Diethyl methylsuccinate

ChEBI IDCHEBI:173899
ChEBI NameDiethyl methylsuccinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESCCOC(=O)CC(C)C(=O)OCC
InChIInChI=1S/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3
InChIKeyXHLXMRJWRKQMCP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diethyl methylsuccinate (CHEBI:173899) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
diethyl 2-methylbutanedioate
Manual XrefsDatabases
96585ChemSpider
HMDB0059814HMDB
Registry NumbersSources
CAS:4676-51-1ChemIDplus