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4,5-Bis(p-acetoxybenzylsulfanyl)-1,3-dithiole-2-thione
SpectraBase Compound ID KjM0SHx8PBr
InChI InChI=1S/C21H18O4S5/c1-13(22)24-17-7-3-15(4-8-17)11-27-19-20(30-21(26)29-19)28-12-16-5-9-18(10-6-16)25-14(2)23/h3-10H,11-12H2,1-2H3
InChIKey RJNMVVIYMYADOY-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C21H18O4S5
Exact Mass 493.980865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SUUTy3cjnM
Name 4,5-Bis(p-acetoxybenzylsulfanyl)-1,3-dithiole-2-thione
Alternate Name(s) 4-{[(5-{[4-(acetyloxy)benzyl]sulfanyl}-2-thioxo-1,3-dithiol-4-yl)sulfanyl]methyl}phenyl acetate acetic acid[4-[[[5-[(4-acetoxybenzyl)thio]-2-thioxo-1,3-dithiol-4-yl]thio]methyl]phenyl]ester acetic acid[4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-sulfanylidene-1,3-dithiol-4-yl]thio]methyl]phenyl]ester [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-thioxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl]ethanoate acetic acid [4-[[[5-[(4-acetyloxyphenyl)methylthio]-2-sulfanylidene-1,3-dithiol-4-yl]thio]methyl]phenyl] ester [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetoxyphenyl)methylsulfanyl]-2-thioxo-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] acetate [4-[[5-[(4-acetyloxyphenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiol-4-yl]sulfanylmethyl]phenyl] ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H18O4S5
InChI InChI=1S/C21H18O4S5/c1-13(22)24-17-7-3-15(4-8-17)11-27-19-20(30-21(26)29-19)28-12-16-5-9-18(10-6-16)25-14(2)23/h3-10H,11-12H2,1-2H3
InChIKey RJNMVVIYMYADOY-UHFFFAOYSA-N
Molecular Weight 494.671 g/mol
SMILES C=1(SC(SC1SCc1ccc(OC(=O)C)cc1)=S)SCc1ccc(OC(=O)C)cc1
SPLASH splash10-0a4i-0900600000-05965394ef3e1288b3d2
Source of Spectrum KC-0-2717-2
Wiley ID 782272