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Methyl 2,2-dimethyl-3-(hexylthio)-3-oxopropanoate
SpectraBase Compound ID IvXCj4hKtDu
InChI InChI=1S/C12H22O3S/c1-5-6-7-8-9-16-11(14)12(2,3)10(13)15-4/h5-9H2,1-4H3
InChIKey CAZSIHUDTVZAKO-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 DmoDc59KbQf
Name Methyl 2,2-dimethyl-3-(hexylthio)-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3S
InChI InChI=1S/C12H22O3S/c1-5-6-7-8-9-16-11(14)12(2,3)10(13)15-4/h5-9H2,1-4H3
InChIKey CAZSIHUDTVZAKO-UHFFFAOYSA-N
Molecular Weight 246.365 g/mol
SMILES C(C(=O)SCCCCCC)(C(=O)OC)(C)C
SPLASH splash10-0udi-5900000000-4638cde0af7c25d7e550
Source of Spectrum H-79-2111-7
Synonyms Methyl 3-(hexylsulfanyl)-2,2-dimethyl-3-oxopropanoate
Wiley ID 1248682