![5,8,11,22,25,28-Hexaoxa-2,14,19,31,35,36-hexathia-16,17,33,34-tetraazatricyclo[30.2.1.115,18]hexatriaconta-15,17,32,34-tetraene](/api/spectrum/ZmAPp0YuQ1/structure.png?h=300&w=458 "5,8,11,22,25,28-Hexaoxa-2,14,19,31,35,36-hexathia-16,17,33,34-tetraazatricyclo[30.2.1.115,18]hexatriaconta-15,17,32,34-tetraene")
| SpectraBase Compound ID | Em0cimiVMDZ |
|---|---|
| InChI | InChI=1S/C20H32N4O6S6/c1-5-27-9-13-31-17-21-22-19(35-17)33-15-11-29-7-3-26-4-8-30-12-16-34-20-24-23-18(36-20)32-14-10-28-6-2-25-1/h1-16H2 |
| InChIKey | BVHGABOABASJOX-UHFFFAOYSA-N |
| Mol Weight | 616.9 g/mol |
| Molecular Formula | C20H32N4O6S6 |
| Exact Mass | 616.064612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZmAPp0YuQ1 |
|---|---|
| Name | 5,8,11,22,25,28-Hexaoxa-2,14,19,31,35,36-hexathia-16,17,33,34-tetraazatricyclo[30.2.1.115,18]hexatriaconta-15,17,32,34-tetraene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 616.064611804 u |
| Formula | C20H32N4O6S6 |
| InChI | InChI=1S/C20H32N4O6S6/c1-5-27-9-13-31-17-21-22-19(35-17)33-15-11-29-7-3-26-4-8-30-12-16-34-20-24-23-18(36-20)32-14-10-28-6-2-25-1/h1-16H2 |
| InChIKey | BVHGABOABASJOX-UHFFFAOYSA-N |
| Molecular Weight | 616.858 g/mol |
| SMILES | C1=2SC(=NN2)SCCOCCOCCOCCSC=2SC(SCCOCCOCCOCCS1)=NN2 |