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3-Heptyl acetate

PropertiesImage
MNX_IDMNXM117430 Image of MNXM117430
referencechebi:179878
formulaC9H18O2
global charge0
mol weight158.241
InChIKeyQICIMADZMWGDTQ-UHFFFAOYSA-N
InChIInChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
SMILESCCCCC(CC)OC(C)=O
MNX internals
InChI (mnx)InChI=1/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3/t9? Image of MNXM117430
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:7][CH:9]([CH2:5][CH3:2])[O:11][C:8]([CH3:3])=[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:179878
chebi:179878
QICIMADZMWGDTQ-UHFFFAOYSA-N 		3-Heptyl acetate
heptan-3-yl acetate
hmdb:HMDB0032309
QICIMADZMWGDTQ-UHFFFAOYSA-N 		3-Heptyl acetate
1-Butylpentyl acetate
1-Butylpentylacetate
3-Heptanol, acetate
3-Heptyl acetic acid
5-Nonanol, acetate
Heptan-3-yl acetic acid
heptan-3-yl acetate

hmdb:HMDB32309 		secondary/obsolete/fantasy identifier