| SpectraBase Spectrum ID |
HjeXumNhz1W |
| Name |
1,1'-Di(ethyleneglycol)-3,3'-(.alpha.,.alpha.'-o-xylyl)bis(benzimidazolium) Ditosylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H40N4O7S2 |
| InChI |
InChI=1S/C26H26N4O.2C7H8O3S/c1-2-8-22-18-30-20-28(24-10-4-6-12-26(24)30)14-16-31-15-13-27-19-29(17-21(22)7-1)25-11-5-3-9-23(25)27;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-12,19-20H,13-18H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2 |
| InChIKey |
QEMAVXZAGOGADT-UHFFFAOYSA-L |
| Molecular Weight |
752.901 g/mol |
| SMILES |
c1(S([O-])(=O)=O)ccc(cc1)C.c1[n+]2Cc3c(C[n+]4c[n](CCOCC[n]1c1c2cccc1)c1c4cccc1)cccc3.c1(S([O-])(=O)=O)ccc(C)cc1 |
| SPLASH |
splash10-0a4i-0000920000-306677394ef69acb90f9 |
| Source of Spectrum |
F-70-5813-8 |
| Wiley ID |
1597177 |
