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

*Links on SpectraBase are not permalinks.
RRRBACFFYFDGGB-UHFFFAOYSA-N
SpectraBase Compound ID 42IqXceIORQ
InChI InChI=1S/C36H44N12O6.C22H30N8O8.2C2HF3O2/c49-31-37-11-12-38(31)22-40-14-16-42(33(40)51)24-44-18-20-46(35(44)53)26-48-30(28-9-5-2-6-10-28)29(27-7-3-1-4-8-27)47(36(48)54)25-45-19-17-43(34(45)52)23-41-15-13-39(21-37)32(41)50;31-27(32)17-5-7-19(21(15-17)29(35)36)25-13-3-11-23-9-1-2-10-24-12-4-14-26-20-8-6-18(28(33)34)16-22(20)30(37)38;2*3-2(4,5)1(6)7/h1-10,29-30H,11-26H2;5-8,15-16,23-26H,1-4,9-14H2;2*(H,6,7)
InChIKey RRRBACFFYFDGGB-UHFFFAOYSA-N
Mol Weight 1503.402 g/mol
Molecular Formula C62H76F6N20O18
Exact Mass 1502.555065 g/mol
Parent InChIKey GVDGMLWJPQFBCK-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Synthesis of Disubstituted Cucurbit[6]uril and Its Rotaxane Derivative Organic Letters 2002

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.