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Methyl 6-thiastearate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Methyl 6-thiastearate
SpectraBase Compound ID BeicZHinCCZ
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-13-16-21-17-14-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKey OEVGHAQEEZYYLN-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C18H36O2S
Exact Mass 316.243602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgFs6Ih37Sw
Name Methyl 6-thiastearate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O2S
InChI InChI=1S/C18H36O2S/c1-3-4-5-6-7-8-9-10-11-13-16-21-17-14-12-15-18(19)20-2/h3-17H2,1-2H3
InChIKey OEVGHAQEEZYYLN-UHFFFAOYSA-N
Molecular Weight 316.544 g/mol
SMILES C(CCCCSCCCCCCCCCCCC)(=O)OC
SPLASH splash10-014i-0951000000-4bb776d258002177e45f
Source of Spectrum J-66-1215-5
Synonyms Methyl 5-(dodecylsulfanyl)pentanoate 5-(dodecylthio)pentanoic acid methyl ester Methyl 5-dodecylsulfanylpentanoate
Wiley ID 1534547