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BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-(3-THIENYL)-METHYLIUM-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID HRjf7QjzeDR
InChI InChI=1S/C41H50S.F6P/c1-38(2,3)27-13-17-29-31(19-15-27)35(40(7,8)9)23-33(29)37(26-21-22-42-25-26)34-24-36(41(10,11)12)32-20-16-28(39(4,5)6)14-18-30(32)34;1-7(2,3,4,5)6/h13-25,37H,1-12H3;/q;-1
InChIKey XAICPTISIOBHNA-UHFFFAOYSA-N
Mol Weight 719.9 g/mol
Molecular Formula C41H50F6PS
Exact Mass 719.327504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mChv73kYeF
Name BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-(3-THIENYL)-METHYLIUM-HEXAFLUOROPHOSPHATE
Compound Number 8B.PF6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H50F6PS
InChI InChI=1S/C41H50S.F6P/c1-38(2,3)27-13-17-29-31(19-15-27)35(40(7,8)9)23-33(29)37(26-21-22-42-25-26)34-24-36(41(10,11)12)32-20-16-28(39(4,5)6)14-18-30(32)34;1-7(2,3,4,5)6/h13-25,37H,1-12H3;/q;-1
InChIKey XAICPTISIOBHNA-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 719.872 g/mol
Solvent CDCl3
Source File Reference UWLU26539