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1,2-bis{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]methyl}benzene
SpectraBase Compound ID 62JVggmQqyU
InChI InChI=1S/C22H18O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)9-11-7-5-6-8-12(11)10-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-10H,1-4H3
InChIKey SLKXKOQTWRMZGY-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C22H18O8S4
Exact Mass 537.988452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cs6dbsBl0TE
Name 1,2-bis{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]methyl}benzene
Alternate Name(s) 2-[[2-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Dimethyl 2-[[2-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylene]-1,3-dithiole-4,5-dicarboxylate Dimethyl 2-[[2-[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]phenyl]methylidene]-1,3-dithiole-4,5-dicarboxylate
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Formula C22H18O8S4
InChI InChI=1S/C22H18O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)9-11-7-5-6-8-12(11)10-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-10H,1-4H3
InChIKey SLKXKOQTWRMZGY-UHFFFAOYSA-N
Molecular Weight 538.618 g/mol
SMILES C1(=C(SC(S1)=Cc1c(C=C2SC(C(=O)OC)=C(S2)C(=O)OC)cccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0zgr-0204690000-812249e5ad6a731b471e
Source of Spectrum O-29-571-3
Wiley ID 1404263