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Octanoic acid, 6-oxo-, ethyl ester
SpectraBase Compound ID GABxOEHQwP2
InChI InChI=1S/C10H18O3/c1-3-9(11)7-5-6-8-10(12)13-4-2/h3-8H2,1-2H3
InChIKey AWEDPHYBDIDQEC-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 759c7YzeoNE
Name ethyl 6-oxooctanoate
Appearance Colorless oil
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Exact Mass 186.125594437 u
Formula C10H18O3
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C10H18O3/c1-3-9(11)7-5-6-8-10(12)13-4-2/h3-8H2,1-2H3
InChIKey AWEDPHYBDIDQEC-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 186.251 g/mol
Quality 152
SMILES C(C)OC(CCCCC(CC)=O)=O
SPLASH splash10-0bt9-7900000000-b1ae1009926a8c10d8ae
Source of Spectrum QE-28-SM125-3pa (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.31 (nHex/Et2O, 7:3)
Wiley ID 1902386