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

*Links on SpectraBase are not permalinks.
5,17-BIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-BIS-(HEXAFLUOROPHOSPHATE)
SpectraBase Compound ID 3Hphm1yYo7g
InChI InChI=1S/C50H62N4O4.2F6P/c1-7-21-55-47-39-13-11-14-40(47)30-44-26-38(34-54-20-18-52(6)36-54)28-46(50(44)58-24-10-4)32-42-16-12-15-41(48(42)56-22-8-2)31-45-27-37(33-53-19-17-51(5)35-53)25-43(29-39)49(45)57-23-9-3;2*1-7(2,3,4,5)6/h11-20,25-28,35-36H,7-10,21-24,29-34H2,1-6H3;;/q+2;2*-1
InChIKey UVKVCRHVWZTENL-UHFFFAOYSA-N
Mol Weight 1072.99836196 g/mol
Molecular Formula C50H62F12N4O4P2
Exact Mass 1072.405468 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 Drxiswhi2X1
Name 5,17-BIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-BIS-(HEXAFLUOROPHOSPHATE)
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H62F12N4O4P2
InChI InChI=1S/C50H62N4O4.2F6P/c1-7-21-55-47-39-13-11-14-40(47)30-44-26-38(34-54-20-18-52(6)36-54)28-46(50(44)58-24-10-4)32-42-16-12-15-41(48(42)56-22-8-2)31-45-27-37(33-53-19-17-51(5)35-53)25-43(29-39)49(45)57-23-9-3;2*1-7(2,3,4,5)6/h11-20,25-28,35-36H,7-10,21-24,29-34H2,1-6H3;;/q+2;2*-1
InChIKey UVKVCRHVWZTENL-UHFFFAOYSA-N
Literature Reference Author T.FAHLBUSCH,M.FRANK,J.SCHATZ,H.SCHMADERER
Literature Reference Citation EUR.J.ORG.CHEM.,1899(2006)
Molecular Weight 1072.995 g/mol
Sample ID 31922
Solvent DMSO-D6