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

*Links on SpectraBase are not permalinks.

1,1':3,3'-Bis(2",3"-bis(2"'-ethoxy)naphthyl)bis(benzimidazolium) Ditosylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,1':3,3'-Bis(2",3"-bis(2"'-ethoxy)naphthyl)bis(benzimidazolium) Ditosylate
SpectraBase Compound ID 4QUuQeYsvrB
InChI InChI=1S/C42H38N4O4.2C7H8O3S/c1-2-10-32-26-40-39(25-31(32)9-1)47-21-17-43-29-45(36-14-6-5-13-35(36)43)19-23-49-41-27-33-11-3-4-12-34(33)28-42(41)50-24-20-46-30-44(18-22-48-40)37-15-7-8-16-38(37)46;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-16,25-30H,17-24H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey ZSTNAAGQNZICFM-UHFFFAOYSA-L
Mol Weight 1005.17 g/mol
Molecular Formula C56H52N4O10S2
Exact Mass 1004.312486 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 E0ODGV6rYfm
Name 1,1':3,3'-bis(2'',3''-bis(2'''-ethoxy)naphthyl)bis(benzimidazolium) ditosylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1004.312486228 u
Formula C56H52N4O10S2
InChI InChI=1S/C42H38N4O4.2C7H8O3S/c1-2-10-32-26-40-39(25-31(32)9-1)47-21-17-43-29-45(36-14-6-5-13-35(36)43)19-23-49-41-27-33-11-3-4-12-34(33)28-42(41)50-24-20-46-30-44(18-22-48-40)37-15-7-8-16-38(37)46;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-16,25-30H,17-24H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey ZSTNAAGQNZICFM-UHFFFAOYSA-L
SMILES C=1(S([O-])(=O)=O)C=CC(=CC1)C.C1=[N+]2CCOC3=C(OCC[N+]4=CN(CCOC5=C(OCCN1C=1C2=CC=CC1)C=C1C(=C5)C=CC=C1)C1=C4C=CC=C1)C=C1C(=C3)C=CC=C1.C=1(S([O-])(=O)=O)C=CC(C)=CC1