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(methylthio)methanethioic acid O-cetyl ester
SpectraBase Compound ID A6WbnpfkRb8
InChI InChI=1S/C18H36OS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(20)21-2/h3-17H2,1-2H3
InChIKey FCZOYJHUHHJHLC-UHFFFAOYSA-N
Mol Weight 332.6 g/mol
Molecular Formula C18H36OS2
Exact Mass 332.220758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wczptAxKy
Name (methylthio)methanethioic acid O-cetyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36OS2
InChI InChI=1S/C18H36OS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(20)21-2/h3-17H2,1-2H3
InChIKey FCZOYJHUHHJHLC-UHFFFAOYSA-N
Molecular Weight 332.605 g/mol
SMILES C(OCCCCCCCCCCCCCCCC)(SC)=S
SPLASH splash10-0600-9300000000-24181d4292baa45e7a3b
Source of Spectrum AJ-73-477-2
Synonyms (methylthio)methanethioic acid O-hexadecyl ester O-hexadecyl methylsulfanylmethanethioate
Wiley ID 775303