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1-(3'-Acetoxy-5'-methoxyphenyl)-14-(3",5"-diacetoxyphenyl)-8,9-bis(ethylthio)tetradecane
SpectraBase Compound ID ChaLqs2oenG
InChI InChI=1S/C37H54O7S2/c1-7-45-36(19-15-11-9-10-13-17-30-21-32(41-6)25-33(22-30)42-27(3)38)37(46-8-2)20-16-12-14-18-31-23-34(43-28(4)39)26-35(24-31)44-29(5)40/h21-26,36-37H,7-20H2,1-6H3
InChIKey YZSMUUOTECQAHZ-UHFFFAOYSA-N
Mol Weight 675.0 g/mol
Molecular Formula C37H54O7S2
Exact Mass 674.331096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QAFFqt6PSu
Name 1-(3'-Acetoxy-5'-methoxyphenyl)-14-(3",5"-diacetoxyphenyl)-8,9-bis(ethylthio)tetradecane
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Formula C37H54O7S2
InChI InChI=1S/C37H54O7S2/c1-7-45-36(19-15-11-9-10-13-17-30-21-32(41-6)25-33(22-30)42-27(3)38)37(46-8-2)20-16-12-14-18-31-23-34(43-28(4)39)26-35(24-31)44-29(5)40/h21-26,36-37H,7-20H2,1-6H3
InChIKey YZSMUUOTECQAHZ-UHFFFAOYSA-N
Molecular Weight 674.952 g/mol
SMILES c1(cc(OC(=O)C)cc(c1)CCCCCC(C(SCC)CCCCCCCc1cc(OC(=O)C)cc(c1)OC)SCC)OC(=O)C
SPLASH splash10-000i-0009000000-fda90bc42f842ed2fcef
Source of Spectrum G4-70-322-4a
Synonyms Acetic acid [3-acetyloxy-5-[14-(3-acetyloxy-5-methoxyphenyl)-6,7-bis(ethylthio)tetradecyl]phenyl] ester [3-acetyloxy-5-[14-(3-acetyloxy-5-methoxyphenyl)-6,7-bis(ethylsulfanyl)tetradecyl]phenyl] acetate [3-acetoxy-5-[14-(3-acetoxy-5-methoxy-phenyl)-6,7-bis(ethylsulfanyl)tetradecyl]phenyl] acetate [3-acetyloxy-5-[14-(3-acetyloxy-5-methoxy-phenyl)-6,7-bis(ethylsulfanyl)tetradecyl]phenyl] ethanoate
Wiley ID 1694682