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2-Octenyl butyrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM116960

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₂₂O₂

charge

mass

198.16198

reference

InChIKey

GPINUUWEKPNDBB-HJWRWDBZSA-N

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-

SMILES

CCCCC/C=C\COC(=O)CCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:171819 chebi:171819	2-Octenyl butyrate [(Z)-oct-2-enyl] butanoate
hmdb:HMDB0038081	2-Octenyl butyrate (2Z)-Oct-2-en-1-yl butanoic acid (2Z)-oct-2-en-1-yl butanoate (e)-2-Octenyl butanoate (e)-Oct-2-enyl butyrate 2-Octenyl butyric acid 2-Octenyl ester(e)-butanoic acid FEMA 3517 trans-2-Octen-1-yl butanoate trans-2-Octen-1-yl butyrate
hmdb:HMDB38081	secondary/obsolete/fantasy identifier