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2,5-BIS-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-THIENO-[3,2-B]-THIOPHENE
SpectraBase Compound ID JdcCyYKuwP1
InChI InChI=1S/C52H40S2/c1-31-25-43(39-21-13-5-9-17-35(31)39)51(44-26-32(2)36-18-10-6-14-22-40(36)44)49-29-47-48(53-49)30-50(54-47)52(45-27-33(3)37-19-11-7-15-23-41(37)45)46-28-34(4)38-20-12-8-16-24-42(38)46/h5-30,51-52H,1-4H3
InChIKey MVQNWPCKGZZAHV-UHFFFAOYSA-N
Mol Weight 729.0 g/mol
Molecular Formula C52H40S2
Exact Mass 728.257144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fs3cuevk5Wt
Name 2,5-BIS-[BIS-(3-METHYL-1-AZULENYL)-METHYL]-THIENO-[3,2-B]-THIOPHENE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H40S2
InChI InChI=1S/C52H40S2/c1-31-25-43(39-21-13-5-9-17-35(31)39)51(44-26-32(2)36-18-10-6-14-22-40(36)44)49-29-47-48(53-49)30-50(54-47)52(45-27-33(3)37-19-11-7-15-23-41(37)45)46-28-34(4)38-20-12-8-16-24-42(38)46/h5-30,51-52H,1-4H3
InChIKey MVQNWPCKGZZAHV-UHFFFAOYSA-N
Literature Reference Author S.ITO,S.KIKUCHI,T.OKUJIMA,N.MOTIRA,T.ASAO
Literature Reference Citation J.ORG.CHEM.,66,2470(2001)
Literature Reference DOI 10.1021/jo001709r
Molecular Weight 729.010 g/mol
Solvent CDCl3
Source File Reference UWLU26544