![1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.1(6,10).1(20,24).1(33,37)]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene](/api/spectrum/5NEVZ76HLBy/structure.png?h=300&w=458 "1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.1(6,10).1(20,24).1(33,37)]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene")
| SpectraBase Compound ID | DXjbQcYdRrX |
|---|---|
| InChI | InChI=1S/C36H42N8/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44/h1-9,22-30H,10-21H2/b37-25+,38-26+,39-27+,40-28+,41-29+,42-30+ |
| InChIKey | DWOBKVVBXJKNBV-MOHXMFTGSA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C36H42N8 |
| Exact Mass | 586.353243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5NEVZ76HLBy |
|---|---|
| Name | 1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.1(6,10).1(20,24).1(33,37)]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene |
| CAS Registry Number | 117806-52-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H42N8 |
| InChI | InChI=1S/C36H42N8/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44/h1-9,22-30H,10-21H2/b37-25+,38-26+,39-27+,40-28+,41-29+,42-30+ |
| InChIKey | DWOBKVVBXJKNBV-MOHXMFTGSA-N |
| Molecular Weight | 586.788 g/mol |
| SMILES | C1CN2CC\N=C\c3cc(\C=N\CCN(CC\N=C\c4cccc(c4)\C=N\1)CC\N=C\c1cc(\C=N\CC2)ccc1)ccc3 |
| SPLASH | splash10-000l-7941130000-296309c9da48d8087c7e |
| Wiley ID | 1496927 |