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2,13-(2,5-DITHIAHEXANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE

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2,13-(2,5-DITHIAHEXANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
SpectraBase Compound ID FoXt3cvYZJy
InChI InChI=1S/2C26H16S6/c2*1-3-19-23-15-9-13(29-17(1)15)11-27-7-8-28-12-14-10-16-18(30-14)2-4-20-24(16)26-22(32-20)6-5-21(31-19)25(23)26/h2*1-6,9-10H,7-8,11-12H2
InChIKey KQVZZSOYHCJPLF-UHFFFAOYSA-N
Mol Weight 1041.5 g/mol
Molecular Formula C52H32S12
Exact Mass 1039.915255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wHyFzsiyzH
Name 2,13-(2,5-DITHIAHEXANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H32S12
InChI InChI=1S/2C26H16S6/c2*1-3-19-23-15-9-13(29-17(1)15)11-27-7-8-28-12-14-10-16-18(30-14)2-4-20-24(16)26-22(32-20)6-5-21(31-19)25(23)26/h2*1-6,9-10H,7-8,11-12H2
InChIKey KQVZZSOYHCJPLF-UHFFFAOYSA-N
Literature Reference Author K.TANAKA,H.OSUGA,Y.KITAHARA
Literature Reference Citation J.ORG.CHEM.,67,1795(2002)
Literature Reference DOI 10.1021/jo016043v
Molecular Weight 1041.546 g/mol
Solvent CDCl3
Source File Reference UWLU25455