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1,5-bis[3',5'-bis(Acetylthiomethyl)]-(2'',4'',6''-trimethylphenoxy)]pentane

View entire compound with spectra: 1 MS (GC)

1,5-bis[3',5'-bis(Acetylthiomethyl)]-(2'',4'',6''-trimethylphenoxy)]pentane
SpectraBase Compound ID LLyWne2ApqZ
InChI InChI=1S/C35H48O6S4/c1-20-30(16-42-26(7)36)22(3)34(23(4)31(20)17-43-27(8)37)40-14-12-11-13-15-41-35-24(5)32(18-44-28(9)38)21(2)33(25(35)6)19-45-29(10)39/h11-19H2,1-10H3
InChIKey VBPKXMRBUMMRTM-UHFFFAOYSA-N
Mol Weight 693.0 g/mol
Molecular Formula C35H48O6S4
Exact Mass 692.233374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eG15SVgs2u
Name 1,5-bis[3',5'-bis(Acetylthiomethyl)]-(2'',4'',6''-trimethylphenoxy)]pentane
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Formula C35H48O6S4
InChI InChI=1S/C35H48O6S4/c1-20-30(16-42-26(7)36)22(3)34(23(4)31(20)17-43-27(8)37)40-14-12-11-13-15-41-35-24(5)32(18-44-28(9)38)21(2)33(25(35)6)19-45-29(10)39/h11-19H2,1-10H3
InChIKey VBPKXMRBUMMRTM-UHFFFAOYSA-N
Molecular Weight 693.003 g/mol
SMILES c1(c(c(CSC(=O)C)c(c(c1C)OCCCCCOc1c(c(CSC(=O)C)c(c(c1C)CSC(=O)C)C)C)C)C)CSC(=O)C
SPLASH splash10-0gvo-6921000000-5ddd923f83f8c06dfbc6
Source of Spectrum K1-2002-247-12
Synonyms 1,5-Bis[3,5-bis(acetylthiomethyl)-2,4,6-trimethylphenoxy]pentane Ethanethioic acid S-[3-[(acetylthio)methyl]-5-[5-[3,5-bis[(acetylthio)methyl]-2,4,6-trimethyl-phenoxy]pentoxy]-2,4,6-trimethyl-benzyl]ester Ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[5-[3,5-bis[(acetylthio)methyl]-2,4,6-trimethylphenoxy]pentoxy]-2,4,6-trimethylphenyl]methyl]ester S-[[3-(acetylsulfanylmethyl)-5-[5-[3,5-bis(acetylsulfanylmethyl)-2,4,6-trimethyl-phenoxy]pentoxy]-2,4,6-trimethyl-phenyl]methyl]ethanethioate S-[[3-[5-[3,5-bis(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenoxy]pentoxy]-5-(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl]ethanethioate S-{3-[(acetylsulfanyl)methyl]-5-[(5-{3,5-bis[(acetylsulfanyl)methyl]-2,4,6-trimethylphenoxy}pentyl)oxy]-2,4,6-trimethylbenzyl} ethanethioate Ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[5-[3,5-bis[(acetylthio)methyl]-2,4,6-trimethylphenoxy]pentoxy]-2,4,6-trimethylphenyl]methyl] ester S-[[3-(acetylsulfanylmethyl)-5-[5-[3,5-bis(acetylsulfanylmethyl)-2,4,6-trimethylphenoxy]pentoxy]-2,4,6-trimethylphenyl]methyl] ethanethioate S-[[3-(acetylsulfanylmethyl)-5-[5-[3,5-bis(acetylsulfanylmethyl)-2,4,6-trimethyl-phenoxy]pentoxy]-2,4,6-trimethyl-phenyl]methyl] ethanethioate S-[[3-[5-[3,5-bis(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenoxy]pentoxy]-5-(ethanoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl] ethanethioate
Wiley ID 1521949