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5,11,17,23-TETRAKIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-TETRAKIS-(HEXAFLUOROPHOSPHATE)

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5,11,17,23-TETRAKIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-TETRAKIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID AL78NGCzGwO
InChI InChI=1S/C60H76N8O4.4F6P/c1-9-21-69-57-49-25-45(37-65-17-13-61(5)41-65)26-50(57)34-52-28-47(39-67-19-15-63(7)43-67)30-54(59(52)71-23-11-3)36-56-32-48(40-68-20-16-64(8)44-68)31-55(60(56)72-24-12-4)35-53-29-46(38-66-18-14-62(6)42-66)27-51(33-49)58(53)70-22-10-2;4*1-7(2,3,4,5)6/h13-20,25-32,41-44H,9-12,21-24,33-40H2,1-8H3;;;;/q+4;4*-1
InChIKey QVOCHFCMWLLLOP-UHFFFAOYSA-N
Mol Weight 1553.17672392 g/mol
Molecular Formula C60H76F24N8O4P4
Exact Mass 1552.455677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3TPikUFnxl
Name 5,11,17,23-TETRAKIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-TETRAKIS-(HEXAFLUOROPHOSPHATE)
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H76F24N8O4P4
InChI InChI=1S/C60H76N8O4.4F6P/c1-9-21-69-57-49-25-45(37-65-17-13-61(5)41-65)26-50(57)34-52-28-47(39-67-19-15-63(7)43-67)30-54(59(52)71-23-11-3)36-56-32-48(40-68-20-16-64(8)44-68)31-55(60(56)72-24-12-4)35-53-29-46(38-66-18-14-62(6)42-66)27-51(33-49)58(53)70-22-10-2;4*1-7(2,3,4,5)6/h13-20,25-32,41-44H,9-12,21-24,33-40H2,1-8H3;;;;/q+4;4*-1
InChIKey QVOCHFCMWLLLOP-UHFFFAOYSA-N
Literature Reference Author T.FAHLBUSCH,M.FRANK,J.SCHATZ,H.SCHMADERER
Literature Reference Citation EUR.J.ORG.CHEM.,1899(2006)
Molecular Weight 1553.171 g/mol
Sample ID 31920
Solvent DMSO-D6