For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,5-BIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-THIOPHENE

View entire compound with spectra: 1 NMR

2,5-BIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-THIOPHENE
SpectraBase Compound ID KUNruBLjz65
InChI InChI=1S/C78H96S/c1-71(2,3)47-25-33-51-55(37-29-47)63(75(13,14)15)43-59(51)69(60-44-64(76(16,17)18)56-38-30-48(72(4,5)6)26-34-52(56)60)67-41-42-68(79-67)70(61-45-65(77(19,20)21)57-39-31-49(73(7,8)9)27-35-53(57)61)62-46-66(78(22,23)24)58-40-32-50(74(10,11)12)28-36-54(58)62/h25-46,69-70H,1-24H3
InChIKey OZDXEZBYBLHEKL-UHFFFAOYSA-N
Mol Weight 1065.7 g/mol
Molecular Formula C78H96S
Exact Mass 1064.723274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GKKBIbgiSnz
Name 2,5-BIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYL]-THIOPHENE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H96S
InChI InChI=1S/C78H96S/c1-71(2,3)47-25-33-51-55(37-29-47)63(75(13,14)15)43-59(51)69(60-44-64(76(16,17)18)56-38-30-48(72(4,5)6)26-34-52(56)60)67-41-42-68(79-67)70(61-45-65(77(19,20)21)57-39-31-49(73(7,8)9)27-35-53(57)61)62-46-66(78(22,23)24)58-40-32-50(74(10,11)12)28-36-54(58)62/h25-46,69-70H,1-24H3
InChIKey OZDXEZBYBLHEKL-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 1065.680 g/mol
Solvent CDCl3
Source File Reference UWLU26542