| SpectraBase Spectrum ID |
16EwNMWheCz |
| Name |
1,1'-Tri(ethyleneglycol)-3,3'-tetra(ethyleneglycol)bis(benzimidazolium) Ditosylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H52N4O11S2 |
| InChI |
InChI=1S/C28H38N4O5.2C7H8O3S/c1-3-7-27-25(5-1)29-9-13-33-17-18-34-14-10-30-24-32(28-8-4-2-6-26(28)30)12-16-36-20-22-37-21-19-35-15-11-31(27)23-29;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-8,23-24H,9-22H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2 |
| InChIKey |
SMLPDDXWOLBVNW-UHFFFAOYSA-L |
| Molecular Weight |
853.015 g/mol |
| SMILES |
c1(S([O-])(=O)=O)ccc(cc1)C.c1[n+]2CCOCCOCC[n+]3c[n](CCOCCOCCOCC[n]1c1c2cccc1)c1c3cccc1.c1(S([O-])(=O)=O)ccc(C)cc1 |
| SPLASH |
splash10-000t-0900007000-9a7d22300b52d0d0274b |
| Source of Spectrum |
F-70-5812-8 |
| Wiley ID |
1597179 |
