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1-{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]]methyl}-2-[(1',3'-dithiabenzo[4',5'-a]fulven-2'-yl}methyl]benzene

View entire compound with spectra: 1 MS (GC)

1-{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]]methyl}-2-[(1',3'-dithiabenzo[4',5'-a]fulven-2'-yl}methyl]benzene
SpectraBase Compound ID 8zP2eoKnpzf
InChI InChI=1S/C22H16O4S4/c1-25-21(23)19-20(22(24)26-2)30-18(29-19)12-14-8-4-3-7-13(14)11-17-27-15-9-5-6-10-16(15)28-17/h3-12H,1-2H3
InChIKey LAJRFRKRSZFNNU-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C22H16O4S4
Exact Mass 471.993144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Axa0Bx2cNlj
Name 1-{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]]methyl}-2-[(1',3'-dithiabenzo[4',5'-a]fulven-2'-yl}methyl]benzene
Alternate Name(s) Dimethyl 2-[2-(1,3-benzodithiol-2-ylidenemethyl)benzylidene]-1,3-dithiole-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O4S4
InChI InChI=1S/C22H16O4S4/c1-25-21(23)19-20(22(24)26-2)30-18(29-19)12-14-8-4-3-7-13(14)11-17-27-15-9-5-6-10-16(15)28-17/h3-12H,1-2H3
InChIKey LAJRFRKRSZFNNU-UHFFFAOYSA-N
Molecular Weight 472.606 g/mol
SMILES C1(=C(SC(S1)=Cc1c(C=C2Sc3ccccc3S2)cccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0fk9-0192500000-3c8034f7e5785ece5cfc
Source of Spectrum O-29-571-3
Wiley ID 1393255