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17-Methyl-7,8-bis(methylthio)octadecanoic acid methyl ester
SpectraBase Compound ID E7fSiX2SSlp
InChI InChI=1S/C22H44O2S2/c1-19(2)15-11-8-6-7-9-12-16-20(25-4)21(26-5)17-13-10-14-18-22(23)24-3/h19-21H,6-18H2,1-5H3
InChIKey POLIYENPZPNHBH-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C22H44O2S2
Exact Mass 404.278273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7y4iCepvtbm
Name 17-Methyl-7,8-bis(methylthio)octadecanoic acid methyl ester
Alternate Name(s) 17-Methyl-7,8-bis(methylthio)stearic acid methyl ester Methyl 17-methyl-7,8-bis(methylsulfanyl)octadecanoate
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Formula C22H44O2S2
InChI InChI=1S/C22H44O2S2/c1-19(2)15-11-8-6-7-9-12-16-20(25-4)21(26-5)17-13-10-14-18-22(23)24-3/h19-21H,6-18H2,1-5H3
InChIKey POLIYENPZPNHBH-UHFFFAOYSA-N
Molecular Weight 404.712 g/mol
SMILES C(CCCCCC(C(CCCCCCCCC(C)C)SC)SC)(=O)OC
SPLASH splash10-0aor-9310000000-dc3906a5b657debf3c67
Source of Spectrum G4-64-1429-0
Wiley ID 1609315