![5H,24H-16,17,18,19,35,36,37,38-Octahydrotetrabenzo[b,i,q,x][1,11,16,26,4,5,7,8,18,19,20,22,23]tetraoxaoctaazacyclotricontene-7,26-dicarbonitrile](/api/spectrum/Ja3xgHs8TIH/structure.png?h=300&w=458 "5H,24H-16,17,18,19,35,36,37,38-Octahydrotetrabenzo[b,i,q,x][1,11,16,26,4,5,7,8,18,19,20,22,23]tetraoxaoctaazacyclotricontene-7,26-dicarbonitrile")
| SpectraBase Compound ID | AtLQ9djoUJv |
|---|---|
| InChI | InChI=1S/C36H34N10O4/c37-25-35-43-39-27-13-1-5-17-31(27)47-21-9-10-22-48-33-19-7-3-15-29(33)41-45-36(26-38)46-42-30-16-4-8-20-34(30)50-24-12-11-23-49-32-18-6-2-14-28(32)40-44-35/h1-8,13-20,39,41H,9-12,21-24H2/b43-35-,44-40+,45-36-,46-42+ |
| InChIKey | SESOAWQFZIKDGG-SMAXDXCCSA-N |
| Mol Weight | 670.7 g/mol |
| Molecular Formula | C36H34N10O4 |
| Exact Mass | 670.27645 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ja3xgHs8TIH |
|---|---|
| Name | 5H,24H-16,17,18,19,35,36,37,38-Octahydrotetrabenzo[b,i,q,x][1,11,16,26,4,5,7,8,18,19,20,22,23]tetraoxaoctaazacyclotricontene-7,26-dicarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H34N10O4 |
| InChI | InChI=1S/C36H34N10O4/c37-25-35-43-39-27-13-1-5-17-31(27)47-21-9-10-22-48-33-19-7-3-15-29(33)41-45-36(26-38)46-42-30-16-4-8-20-34(30)50-24-12-11-23-49-32-18-6-2-14-28(32)40-44-35/h1-8,13-20,39,41H,9-12,21-24H2/b43-35-,44-40+,45-36-,46-42+ |
| InChIKey | SESOAWQFZIKDGG-SMAXDXCCSA-N |
| Molecular Weight | 670.734 g/mol |
| SMILES | N1c2c(OCCCCOc3c(N\N=C\(\N=N\c4c(OCCCCOc5c(\N=N\C(C#N)=N\1)cccc5)cccc4)C#N)cccc3)cccc2 |
| SPLASH | splash10-0udi-9600000000-5b1d0c9a85f55cbacd91 |
| Source of Spectrum | F-54-12425-4 |
| Wiley ID | 809187 |