![1,1'-(Dithiodiethylene)bis[3-(p-tolylsulfonyl)urea]](/api/spectrum/LrRLx6VSPfl/structure.png?h=300&w=458 "1,1'-(Dithiodiethylene)bis[3-(p-tolylsulfonyl)urea]")
| SpectraBase Compound ID | WvlDkmA8aU |
|---|---|
| InChI | InChI=1S/C20H26N4O6S4/c1-15-3-7-17(8-4-15)33(27,28)23-19(25)21-11-13-31-32-14-12-22-20(26)24-34(29,30)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26) |
| InChIKey | XNQVDLYJQLYTTA-UHFFFAOYSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C20H26N4O6S4 |
| Exact Mass | 546.073519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrRLx6VSPfl |
|---|---|
| Name | 1,1'-(Dithiodiethylene)bis[3-(p-tolylsulfonyl)urea] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.073519263 u |
| Formula | C20H26N4O6S4 |
| InChI | InChI=1S/C20H26N4O6S4/c1-15-3-7-17(8-4-15)33(27,28)23-19(25)21-11-13-31-32-14-12-22-20(26)24-34(29,30)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H2,21,23,25)(H2,22,24,26) |
| InChIKey | XNQVDLYJQLYTTA-UHFFFAOYSA-N |
| Molecular Weight | 546.690 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)C(NCCSSCCNC(NS(=O)(=O)C=1C=CC(=CC1)C)=O)=O |