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acetic acid [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylthio)tetradecyl]-5-methoxy-phenyl] ester
SpectraBase Compound ID FCTD5QgQzNJ
InChI InChI=1S/C35H54O5S2/c1-7-41-34(19-15-11-9-10-13-17-28-21-30(37-4)25-31(22-28)38-5)35(42-8-2)20-16-12-14-18-29-23-32(39-6)26-33(24-29)40-27(3)36/h21-26,34-35H,7-20H2,1-6H3
InChIKey HMSIDKYSNVRHGD-UHFFFAOYSA-N
Mol Weight 618.9 g/mol
Molecular Formula C35H54O5S2
Exact Mass 618.341267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKBeg4PosEa
Name 1-(3',5'-Dimethoxyphenyl)-14-(3"-acetoxy-5"-methoxyphenyl)-8,9-bis(ethylthio)tetradecane
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Formula C35H54O5S2
InChI InChI=1S/C35H54O5S2/c1-7-41-34(19-15-11-9-10-13-17-28-21-30(37-4)25-31(22-28)38-5)35(42-8-2)20-16-12-14-18-29-23-32(39-6)26-33(24-29)40-27(3)36/h21-26,34-35H,7-20H2,1-6H3
InChIKey HMSIDKYSNVRHGD-UHFFFAOYSA-N
Molecular Weight 618.932 g/mol
SMILES c1(cc(OC)cc(c1)CCCCCC(C(SCC)CCCCCCCc1cc(OC)cc(c1)OC)SCC)OC(=O)C
SPLASH splash10-0pb9-0729001000-12f4ba1ef60cd0403c0a
Source of Spectrum G4-70-323-10b
Synonyms Acetic acid [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylthio)tetradecyl]-5-methoxyphenyl] ester [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylsulfanyl)tetradecyl]-5-methoxyphenyl] acetate [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylsulfanyl)tetradecyl]-5-methoxy-phenyl] acetate [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylsulfanyl)tetradecyl]-5-methoxy-phenyl] ethanoate
Wiley ID 1694677