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Octanoic acid, 2-ethyl-2-methyl-, methyl ester
SpectraBase Compound ID 5fToQGmQsc7
InChI InChI=1S/C12H24O2/c1-5-7-8-9-10-12(3,6-2)11(13)14-4/h5-10H2,1-4H3
InChIKey LQLNEJNYIHKPGW-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzchoDRybdC
Name Octanoic acid, 2-ethyl-2-methyl-, methyl ester
Alternate Name(s) Methyl 2-ethyl-2-methyloctanoate Methyl 3-methylnonane-3-carboxylate
CAS Registry Number 41487-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-5-7-8-9-10-12(3,6-2)11(13)14-4/h5-10H2,1-4H3
InChIKey LQLNEJNYIHKPGW-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(C(CC)(CCCCCC)C)(=O)OC
SPLASH splash10-05mo-9500000000-1c5946353b938d3092dd
Source of Spectrum C-97-2223-0
Wiley ID 1197970