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1,1':3,3'-Bis(1:,2"-bis(2"'-ethoxy)phenyl)bis(benzimidazolium) Ditosylate
SpectraBase Compound ID In6hjFCk9Eu
InChI InChI=1S/C34H34N4O4.2C7H8O3S/c1-2-10-28-27(9-1)35-17-21-39-31-13-5-6-14-32(31)41-23-19-37-26-38(30-12-4-3-11-29(30)37)20-24-42-34-16-8-7-15-33(34)40-22-18-36(28)25-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-16,25-26H,17-24H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey UCQYZQGEWIGCNH-UHFFFAOYSA-L
Mol Weight 905.05 g/mol
Molecular Formula C48H48N4O10S2
Exact Mass 904.281186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VZU53dncw5
Name 1,1':3,3'-Bis(1:,2"-bis(2"'-ethoxy)phenyl)bis(benzimidazolium) Ditosylate
Comments Less than 3 mono-isotopic peaks
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Formula C48H48N4O10S2
InChI InChI=1S/C34H34N4O4.2C7H8O3S/c1-2-10-28-27(9-1)35-17-21-39-31-13-5-6-14-32(31)41-23-19-37-26-38(30-12-4-3-11-29(30)37)20-24-42-34-16-8-7-15-33(34)40-22-18-36(28)25-35;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-16,25-26H,17-24H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2
InChIKey UCQYZQGEWIGCNH-UHFFFAOYSA-L
Molecular Weight 905.050 g/mol
SMILES c1(S([O-])(=O)=O)ccc(cc1)C.c1[n+]2CCOc3c(OCC[n+]4c[n](CCOc5c(OCC[n]1c1c2cccc1)cccc5)c1c4cccc1)cccc3.c1(S([O-])(=O)=O)ccc(C)cc1
SPLASH splash10-03f0-0000090900-f7c303ee338d1147bef4
Source of Spectrum F-70-5813-8
Wiley ID 1597168