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1-Methylbutyl butanoate

PropertiesImage
MNX_IDMNXM115994 Image of MNXM115994
referencechebi:179875
formulaC9H18O2
global charge0
mol weight158.241
InChIKeyDJOCFLQKCMWABC-UHFFFAOYSA-N
InChIInChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
SMILESCCCC(=O)OC(C)CCC
MNX internals
InChI (mnx)InChI=1/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3/t8? Image of MNXM115994
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH:8]([CH3:3])[O:11][C:9]([CH2:7][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:179875
chebi:179875
DJOCFLQKCMWABC-UHFFFAOYSA-N 		1-Methylbutyl butanoate
pentan-2-yl butanoate
hmdb:HMDB0039219
DJOCFLQKCMWABC-UHFFFAOYSA-N 		1-Methylbutyl butanoate
1-Methylbutyl butanoic acid
1-Methylbutyl butyrate
2-Pentyl butanoate
2-Pentyl butyrate
Butanoic acid, 1-methylbutyl ester
Butanoic acid, 2-pentyl ester
Butyric acid, sec-pentyl ester
FEMA 3893
Sec-amyl butyrate
pentan-2-yl butanoate

lipidmaps:LMFA07010712
lipidmapsM:LMFA07010712
DJOCFLQKCMWABC-UHFFFAOYSA-N 		1-Methylbutyl butanoate
WE 9:0
pentan-2-yl butanoate

hmdb:HMDB39219 		secondary/obsolete/fantasy identifier