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Decanoic acid, 2-(methylthio)-, ethyl ester
SpectraBase Compound ID KfLB9sO27HV
InChI InChI=1S/C13H26O2S/c1-4-6-7-8-9-10-11-12(16-3)13(14)15-5-2/h12H,4-11H2,1-3H3
InChIKey JJBCBMQVSCXYHX-UHFFFAOYSA-N
Mol Weight 246.41 g/mol
Molecular Formula C13H26O2S
Exact Mass 246.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3x3tiM9BDPd
Name Decanoic acid, 2-(methylthio)-, ethyl ester
CAS Registry Number 60774-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2S
InChI InChI=1S/C13H26O2S/c1-4-6-7-8-9-10-11-12(16-3)13(14)15-5-2/h12H,4-11H2,1-3H3
InChIKey JJBCBMQVSCXYHX-UHFFFAOYSA-N
Molecular Weight 246.409 g/mol
SMILES C(=O)(C(SC)CCCCCCCC)OCC
SPLASH splash10-00dj-0950000000-c2ddf6c3a90b1fb806f1
Source of Spectrum C-98-4897-0
Synonyms Ethyl 2-(methylsulfanyl)decanoate Ethyl 2-(methylthio)decanoate
Wiley ID 1248859