pyrazinophane](/api/spectrum/6wYMxPvLdSO/structure.png?h=300&w=458 "2,11,20,29-tetrathia-[3.3.3,3](2,5)pyrazinophane")
| SpectraBase Compound ID | E25Lfv5gjtN |
|---|---|
| InChI | InChI=1S/C24H24N8S4/c1-3-35-23-11-29-18(6-31-23)2-4-36-24-12-30-22(10-32-24)16-34-15-21-9-27-20(8-28-21)14-33-13-19-7-25-17(1)5-26-19/h5-12H,1-4,13-16H2 |
| InChIKey | IDOLAQQARLPGEA-UHFFFAOYSA-N |
| Mol Weight | 552.8 g/mol |
| Molecular Formula | C24H24N8S4 |
| Exact Mass | 552.100678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6wYMxPvLdSO |
|---|---|
| Name | 2,11,20,29-tetrathia-[3.3.3,3](2,5)pyrazinophane |
| CAS Registry Number | 123624-98-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H24N8S4 |
| InChI | InChI=1S/C24H24N8S4/c1-3-35-23-11-29-18(6-31-23)2-4-36-24-12-30-22(10-32-24)16-34-15-21-9-27-20(8-28-21)14-33-13-19-7-25-17(1)5-26-19/h5-12H,1-4,13-16H2 |
| InChIKey | IDOLAQQARLPGEA-UHFFFAOYSA-N |
| Molecular Weight | 552.752 g/mol |
| SMILES | c12ncc(CSCc3cnc(CSCc4cnc(CCSc5cnc(CCS2)cn5)cn4)cn3)nc1 |
| SPLASH | splash10-052r-0900010000-5f18764a2a0a08926174 |
| Source of Spectrum | K-123-531-27 |
| Synonyms | 2,9,17,24-tetrathia-6,13,20,27,29,31,33,35-octaazapentacyclo[24.2.2.2(5,8).2(12,15).2(19,22)]hexatriaconta-1(28),5,7,12,14,19,21,26,29,31,33,35-dodecaene |
| Wiley ID | 1405907 |