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

*Links on SpectraBase are not permalinks.
1-[4-[TRIS-[4-(4-PHOSPHONODIETHOXYPHENYL)-PHENYL]-METHYL]-PHENYL]-1'-(3-BROMOPROPYL)-4,4'-BIPYRIDINIUM-HEXAFLUOROPHOSPHATE
SpectraBase Compound ID 9Ank89eDPCx
InChI InChI=1S/C68H72BrN2O9P3.2F6P/c1-7-75-81(72,76-8-2)65-36-20-55(21-37-65)52-14-26-60(27-15-52)68(61-28-16-53(17-29-61)56-22-38-66(39-23-56)82(73,77-9-3)78-10-4,62-30-18-54(19-31-62)57-24-40-67(41-25-57)83(74,79-11-5)80-12-6)63-32-34-64(35-33-63)71-50-44-59(45-51-71)58-42-48-70(49-43-58)47-13-46-69;2*1-7(2,3,4,5)6/h14-45,48-51H,7-13,46-47H2,1-6H3;;/q+2;2*-1
InChIKey FSWAJIYRWHEFNF-UHFFFAOYSA-N
Mol Weight 1524.1 g/mol
Molecular Formula C68H72BrF12N2O9P5
Exact Mass 1522.291768 g/mol
Parent InChIKey XKGOLBWZRNNXPX-UHFFFAOYSA-N
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Assembly of an Electronically Switchable Rotaxane on the Surface of a Titanium Dioxide Nanoparticle Journal of the American Chemical Society 2003

This compound is available in the following databases:

KnowItAll NMR Spectral Library

Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.