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Methyl 12-thiatridecanoate
SpectraBase Compound ID I5ecApIDbt6
InChI InChI=1S/C13H26O2S/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-16-2/h3-12H2,1-2H3
InChIKey HVVVGQFPKNQYGE-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 1ZRpW6BJN1g
Name Methyl 12-thiatridecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2S
InChI InChI=1S/C13H26O2S/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-16-2/h3-12H2,1-2H3
InChIKey HVVVGQFPKNQYGE-UHFFFAOYSA-N
Molecular Weight 246.409 g/mol
SMILES C(CCCCCCCCCCSC)(=O)OC
SPLASH splash10-0002-7960000000-88a509c520051e713abd
Source of Spectrum X4-28-86-0
Synonyms Methyl 11-(methylsulfanyl)undecanoate Methyl 11-methylsulfanylundecanoate
Wiley ID 1586440