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

*Links on SpectraBase are not permalinks.

2,5-THIENO-[3,2-B]-THIOPHENEDIYLBIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLIUM]-BIS-(HEXAFLUOROPHOSPHATE)

View entire compound with spectra: 1 NMR

2,5-THIENO-[3,2-B]-THIOPHENEDIYLBIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLIUM]-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID 4L20O8vvlgI
InChI InChI=1S/C80H96S2.2F6P/c1-73(2,3)47-25-33-51-55(37-29-47)63(77(13,14)15)41-59(51)71(60-42-64(78(16,17)18)56-38-30-48(74(4,5)6)26-34-52(56)60)69-45-67-68(81-69)46-70(82-67)72(61-43-65(79(19,20)21)57-39-31-49(75(7,8)9)27-35-53(57)61)62-44-66(80(22,23)24)58-40-32-50(76(10,11)12)28-36-54(58)62;2*1-7(2,3,4,5)6/h25-46,71-72H,1-24H3;;/q;2*-1
InChIKey URKYZHYJNHOSRA-UHFFFAOYSA-N
Mol Weight 1411.69636196 g/mol
Molecular Formula C80H96F12P2S2
Exact Mass 1410.623707 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 3R56X6Fxv98
Name 2,5-THIENO-[3,2-B]-THIOPHENEDIYLBIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLIUM]-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 10B.2PF6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H96F12P2S2
InChI InChI=1S/C80H96S2.2F6P/c1-73(2,3)47-25-33-51-55(37-29-47)63(77(13,14)15)41-59(51)71(60-42-64(78(16,17)18)56-38-30-48(74(4,5)6)26-34-52(56)60)69-45-67-68(81-69)46-70(82-67)72(61-43-65(79(19,20)21)57-39-31-49(75(7,8)9)27-35-53(57)61)62-44-66(80(22,23)24)58-40-32-50(76(10,11)12)28-36-54(58)62;2*1-7(2,3,4,5)6/h25-46,71-72H,1-24H3;;/q;2*-1
InChIKey URKYZHYJNHOSRA-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 1411.691 g/mol
Solvent CDCl3
Source File Reference UWLU26551