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8-ketocaprylic acid methyl ester
SpectraBase Compound ID AY4zS3a4wVF
InChI InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3
InChIKey HVAXGLYKECRETN-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3dWLHaDOi0
Name Methyl 8-oxooctanoate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3
InChIKey HVAXGLYKECRETN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 172.224 g/mol
SMILES C(OC)(CCCCCCC=O)=O
SPLASH splash10-00di-9000000000-6001578fc511ba3fefef
Source of Spectrum US20130203829A1
Thin-Layer Chromatography Rf = 0.45 (20% Ethyl acetate in hexanes, iodine and KMnO4 stain)
Wiley ID 1847742