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3,3''',4'''',3'''''''-TETRA-(BUTYLSULFANYL)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-OCTATHIOPHENE

View entire compound with spectra: 1 NMR

3,3''',4'''',3'''''''-TETRA-(BUTYLSULFANYL)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-OCTATHIOPHENE
SpectraBase Compound ID JNsazzGAFCU
InChI InChI=1S/C48H50S12/c1-5-9-23-49-35-21-27-53-45(35)37-17-13-31(55-37)33-15-19-39(57-33)47-43(51-25-11-7-3)29-41(59-47)42-30-44(52-26-12-8-4)48(60-42)40-20-16-34(58-40)32-14-18-38(56-32)46-36(22-28-54-46)50-24-10-6-2/h13-22,27-30H,5-12,23-26H2,1-4H3
InChIKey SZCVGTPUEFMJGY-UHFFFAOYSA-N
Mol Weight 1011.6 g/mol
Molecular Formula C48H50S12
Exact Mass 1010.056106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gc8HmSOUYJ0
Name 3,3''',4'''',3'''''''-TETRA-(BUTYLSULFANYL)-2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-OCTATHIOPHENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H50S12
InChI InChI=1S/C48H50S12/c1-5-9-23-49-35-21-27-53-45(35)37-17-13-31(55-37)33-15-19-39(57-33)47-43(51-25-11-7-3)29-41(59-47)42-30-44(52-26-12-8-4)48(60-42)40-20-16-34(58-40)32-14-18-38(56-32)46-36(22-28-54-46)50-24-10-6-2/h13-22,27-30H,5-12,23-26H2,1-4H3
InChIKey SZCVGTPUEFMJGY-UHFFFAOYSA-N
Literature Reference Author D.IAROSSI,A.MUCCI,L.SCHNETTI,V.SODINI
Literature Reference Citation J.HETCYCL.CHEM.,36,241(1999)
Literature Reference DOI 10.1002/jhet.5570360137
Molecular Weight 1011.645 g/mol
Solvent CDCl3
Source File Reference UWSI24652