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4,5-Bis(p-acetoxybenzylsulfanyl)-1,3-dithiole-2-one
SpectraBase Compound ID 2SbCc4W6n6Y
InChI InChI=1S/C21H18O5S4/c1-13(22)25-17-7-3-15(4-8-17)11-27-19-20(30-21(24)29-19)28-12-16-5-9-18(10-6-16)26-14(2)23/h3-10H,11-12H2,1-2H3
InChIKey YTGMXPJGDTULOP-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C21H18O5S4
Exact Mass 478.003708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyRAn7HjIdy
Name 4,5-Bis(p-acetoxybenzylsulfanyl)-1,3-dithiole-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O5S4
InChI InChI=1S/C21H18O5S4/c1-13(22)25-17-7-3-15(4-8-17)11-27-19-20(30-21(24)29-19)28-12-16-5-9-18(10-6-16)26-14(2)23/h3-10H,11-12H2,1-2H3
InChIKey YTGMXPJGDTULOP-UHFFFAOYSA-N
Molecular Weight 478.610 g/mol
SMILES C=1(SC(SC1SCc1ccc(OC(=O)C)cc1)=O)SCc1ccc(OC(=O)C)cc1
SPLASH splash10-0a4i-0900000000-0a98a5a6bdccfeaa8f6f
Source of Spectrum KC-0-2717-3
Synonyms 4-{[(5-{[4-(acetyloxy)benzyl]sulfanyl}-2-oxo-1,3-dithiol-4-yl)sulfanyl]methyl}phenyl acetate Acetic acid[4-[[[5-[(4-acetoxybenzyl)thio]-2-keto-1,3-dithiol-4-yl]thio]methyl]phenyl]ester Acetic acid[4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-oxo-1,3-dithiol-4-yl]thio]methyl]phenyl]ester [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-oxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-oxidanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]ethanoate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-oxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate Acetic acid [4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-oxo-1,3-dithiol-4-yl]thio]methyl]phenyl] ester [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-oxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-oxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-oxidanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] ethanoate
Wiley ID 782271