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2',5'-DI-[1-(2-THIENYL)-OCTA-1,7-DIYNE]-THIOPHENE
SpectraBase Compound ID IKKC2HsHbvY
InChI InChI=1S/C28H24S3/c1(5-9-15-25-19-13-23-29-25)3-7-11-17-27-21-22-28(31-27)18-12-8-4-2-6-10-16-26-20-14-24-30-26/h13-14,19-24H,1-8H2
InChIKey LFQXRCYBIIVYBL-UHFFFAOYSA-N
Mol Weight 456.68 g/mol
Molecular Formula C28H24S3
Exact Mass 456.104014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fh90fl5Ylko
Name 2',5'-DI-[1-(2-THIENYL)-OCTA-1,7-DIYNE]-THIOPHENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H24S3
InChI InChI=1S/C28H24S3/c1(5-9-15-25-19-13-23-29-25)3-7-11-17-27-21-22-28(31-27)18-12-8-4-2-6-10-16-26-20-14-24-30-26/h13-14,19-24H,1-8H2
InChIKey LFQXRCYBIIVYBL-UHFFFAOYSA-N
Literature Reference Author C.HAY,C.FAVE,M.HISSLER,J.RAULT-BERTHELOT,R.REAU
Literature Reference Citation ORG.LETTERS,5,3467(2003)
Literature Reference DOI 10.1021/ol0352658
Molecular Weight 456.679 g/mol
Sample ID 38137
Solvent CDCl3