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Decanoic acid, 2-(methylthio)-9-oxo-, methyl ester
SpectraBase Compound ID LOjTIrCNmy3
InChI InChI=1S/C12H22O3S/c1-10(13)8-6-4-5-7-9-11(16-3)12(14)15-2/h11H,4-9H2,1-3H3
InChIKey QXPPGOWBRNZXHO-UHFFFAOYSA-N
Mol Weight 246.36 g/mol
Molecular Formula C12H22O3S
Exact Mass 246.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48nqHCvvAjx
Name Decanoic acid, 2-(methylthio)-9-oxo-, methyl ester
Alternate Name(s) Methyl 2-(methylsulfanyl)-9-oxodecanoate Methyl 2-methylthio-9-oxodecanoate
CAS Registry Number 54002-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3S
InChI InChI=1S/C12H22O3S/c1-10(13)8-6-4-5-7-9-11(16-3)12(14)15-2/h11H,4-9H2,1-3H3
InChIKey QXPPGOWBRNZXHO-UHFFFAOYSA-N
Molecular Weight 246.365 g/mol
SMILES C(=O)(C(SC)CCCCCCC(=O)C)OC
SPLASH splash10-03e9-9320000000-0cb9e3f4f1897a77eeeb
Source of Spectrum C-98-4901-0
Wiley ID 1248678