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3-(hexylthio)-2-methyl-propionic acid methyl ester
SpectraBase Compound ID 2VovFbdYhPl
InChI InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-9-10(2)11(12)13-3/h10H,4-9H2,1-3H3
InChIKey DCMHXRAXZCZDNQ-UHFFFAOYSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgVtFRBSRGA
Name 3-(hexylthio)-2-methyl-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-4-5-6-7-8-14-9-10(2)11(12)13-3/h10H,4-9H2,1-3H3
InChIKey DCMHXRAXZCZDNQ-UHFFFAOYSA-N
Molecular Weight 218.355 g/mol
SMILES C(C(CSCCCCCC)C)(=O)OC
SPLASH splash10-0mji-9610000000-95be64e1643f5eceb3e2
Source of Spectrum SK-26-2193-0
Synonyms 3-(hexylthio)-2-methylpropanoic acid methyl ester Methyl 3-hexylsulfanyl-2-methylpropanoate
Wiley ID 867186