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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 5uZ1NVkKgdm
Name 8-ketocaprylic acid methyl ester
Alternate Name(s) Methyl 8-oxooctanoate 8-Oxooctanoic acid methyl ester Methyl 8-oxidanylideneoctanoate Octanoic acid, 8-oxo-, methyl ester
CAS Registry Number 3884-92-2
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
Molecular Weight 172.224 g/mol
SMILES C(=O)CCCCCCC(=O)OC
SPLASH splash10-059f-9100000000-2c1176463caa0af0289b
Source of Spectrum CM-1999-22609-0
Wiley ID 484963