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2,13-(2,6-DITHIAHEPTANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE

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2,13-(2,6-DITHIAHEPTANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
SpectraBase Compound ID LDJFuFAPi4G
InChI InChI=1S/C27H18S6/c1-8-28-12-14-10-16-18(30-14)2-4-20-24(16)26-22(32-20)6-7-23-27(26)25-17-11-15(13-29-9-1)31-19(17)3-5-21(25)33-23/h2-7,10-11H,1,8-9,12-13H2
InChIKey WPWXNZSZPJJIKD-UHFFFAOYSA-N
Mol Weight 534.8 g/mol
Molecular Formula C27H18S6
Exact Mass 533.973278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SbWCVAQKEE
Name 2,13-(2,6-DITHIAHEPTANO)-DITHIENO-[3,2-E:3',2'-E']-BENZO-[1,2-B:4,3-B']-BIS-[1]-BENZOTHIOPHENE
Compound Number 3 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18S6
InChI InChI=1S/C27H18S6/c1-8-28-12-14-10-16-18(30-14)2-4-20-24(16)26-22(32-20)6-7-23-27(26)25-17-11-15(13-29-9-1)31-19(17)3-5-21(25)33-23/h2-7,10-11H,1,8-9,12-13H2
InChIKey WPWXNZSZPJJIKD-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 534.800 g/mol
Solvent CDCl3
Source File Reference UWLU25456