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Diethyl methylsuccinate

PropertiesImage
MNX_IDMNXM155331 Image of MNXM155331
referencechebi:173899
formulaC9H16O4
global charge0
mol weight188.223
InChIKeyXHLXMRJWRKQMCP-UHFFFAOYSA-N
InChIInChI=1S/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3
SMILESCCOC(=O)CC(C)C(=O)OCC
MNX internals
InChI (mnx)InChI=1/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3/t7? Image of MNXM155331
SMILES (mnx)[CH3:1][CH2:4][O:12][C:8]([CH2:6][CH:7]([CH3:3])[C:9](=[O:11])[O:13][CH2:5][CH3:2])=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173899
chebi:173899
XHLXMRJWRKQMCP-UHFFFAOYSA-N
Diethyl methylsuccinate
diethyl 2-methylbutanedioate
hmdb:HMDB0059814
XHLXMRJWRKQMCP-UHFFFAOYSA-N
Diethyl methylsuccinate
1,4-Diethyl 2-methylbutanedioic acid
1,4-diethyl 2-methylbutanedioate
Diethyl methylsuccinic acid

hmdb:HMDB59814
secondary/obsolete/fantasy identifier