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2-Heptyl butyrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM116745

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

formula

C₁₂H₂₄O₂

charge

mass

200.17763

reference

InChIKey

USSKZVIXWTWCGK-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3

SMILES

CCCCCC(CC)OC(=O)CCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMFA07010715 lipidmapsM:LMFA07010715	2-Heptyl butyrate WE 12:0 octan-3-yl butanoate
hmdb:HMDB0032310	2-Heptyl butyrate 1-Methylhexyl butanoate 1-Methylhexyl butyrate 2-Heptanol butanoate 2-Heptyl butanoate 2-Heptyl butyric acid octan-3-yl butanoate
hmdb:HMDB32310	secondary/obsolete/fantasy identifier