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1,4-Diethylhexyl octanoate
SpectraBase Compound ID eRhatSGCbS
InChI InChI=1S/C18H36O2/c1-5-9-10-11-12-13-18(19)20-17(8-4)15-14-16(6-2)7-3/h16-17H,5-15H2,1-4H3
InChIKey KOOBNBPYLIQTOF-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MTxf8ALpvJ
Name 1,4-Diethylhexyl octanoate
Alternate Name(s) Octanoic acid, 6-ethyl-3-octyl ester Octanoic acid 6-ethyloctan-3-yl ester 6-Ethyloctan-3-yl octanoate
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Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-5-9-10-11-12-13-18(19)20-17(8-4)15-14-16(6-2)7-3/h16-17H,5-15H2,1-4H3
InChIKey KOOBNBPYLIQTOF-UHFFFAOYSA-N
Molecular Weight 284.484 g/mol
SMILES CCCCCCCC(=O)OC(CCC(CC)CC)CC
SPLASH splash10-056u-9500000000-d7ed5f414bbe9a1b0838
Source of Spectrum NP-9-1898-0
Wiley ID 1107932