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2,5-THIOPHENEDIYLBIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLIUM]-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID 20kC76HOc1h
InChI InChI=1S/C78H96S.2F6P/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;2*1-7(2,3,4,5)6/h25-46,69-70H,1-24H3;;/q;2*-1
InChIKey YHLOGDJPQONOEF-UHFFFAOYSA-N
Mol Weight 1355.61436196 g/mol
Molecular Formula C78H96F12P2S
Exact Mass 1354.651636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALStlSiYK8t
Name 2,5-THIOPHENEDIYLBIS-[BIS-(3,6-DI-TERT.-BUTYL-1-AZULENYL)-METHYLIUM]-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 9 B.2PF6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H96F12P2S
InChI InChI=1S/C78H96S.2F6P/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;2*1-7(2,3,4,5)6/h25-46,69-70H,1-24H3;;/q;2*-1
InChIKey YHLOGDJPQONOEF-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 1355.609 g/mol
Solvent CDCl3
Source File Reference UWLU26548