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2,13-(2,7-DITHIAOCTANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
SpectraBase Compound ID CSlyFuJleBL
InChI InChI=1S/C28H20S6/c1-2-10-30-14-16-12-18-20(32-16)4-6-22-26(18)28-24(34-22)8-7-23-27(28)25-17-11-15(13-29-9-1)31-19(17)3-5-21(25)33-23/h3-8,11-12H,1-2,9-10,13-14H2
InChIKey NFZHXEYGRXVLLB-UHFFFAOYSA-N
Mol Weight 548.8 g/mol
Molecular Formula C28H20S6
Exact Mass 547.988928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPQoaT8juzl
Name 2,13-(2,7-DITHIAOCTANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H20S6
InChI InChI=1S/C28H20S6/c1-2-10-30-14-16-12-18-20(32-16)4-6-22-26(18)28-24(34-22)8-7-23-27(28)25-17-11-15(13-29-9-1)31-19(17)3-5-21(25)33-23/h3-8,11-12H,1-2,9-10,13-14H2
InChIKey NFZHXEYGRXVLLB-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 548.827 g/mol
Solvent CDCl3
Source File Reference UWLU25457