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2-[4'-(Methoxycarbonyl)-1'-methylthiobutan-1'-yl]-5-(1"-methylthiotridecan-1"-yl)-tetrahydrothiophene
SpectraBase Compound ID BBQcmK3Z0ul
InChI InChI=1S/C25H48O2S3/c1-5-6-7-8-9-10-11-12-13-14-16-21(28-3)23-19-20-24(30-23)22(29-4)17-15-18-25(26)27-2/h21-24H,5-20H2,1-4H3
InChIKey XNNQZVZCHCPLRJ-UHFFFAOYSA-N
Mol Weight 476.8 g/mol
Molecular Formula C25H48O2S3
Exact Mass 476.281644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aEMg5ZpJY
Name 2-[4'-(Methoxycarbonyl)-1'-methylthiobutan-1'-yl]-5-(1"-methylthiotridecan-1"-yl)-tetrahydrothiophene
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Formula C25H48O2S3
InChI InChI=1S/C25H48O2S3/c1-5-6-7-8-9-10-11-12-13-14-16-21(28-3)23-19-20-24(30-23)22(29-4)17-15-18-25(26)27-2/h21-24H,5-20H2,1-4H3
InChIKey XNNQZVZCHCPLRJ-UHFFFAOYSA-N
Molecular Weight 476.837 g/mol
SMILES C1(SC(CC1)C(SC)CCCC(=O)OC)C(SC)CCCCCCCCCCCC
SPLASH splash10-014i-9520000000-a9f723f56271790dafe3
Source of Spectrum X2-57-1695-0
Synonyms Methyl 5-(methylsulfanyl)-5-{5-[1-(methylsulfanyl)tridecyl]tetrahydro-2-thienyl}pentanoate
Wiley ID 1605770