![2,8,17,23,31,33-hexaazaheptacyclo[22.6.1.1(3,7).1(9,16).1(18,22).0(10,15).0(25,30)]tetratriaconta-1(31),3(34),4,6,8,10,12,14,16(33),18(32),19,21,23,25,27,29-hexadecaene](/api/spectrum/EyqaBdflmDm/structure.png?h=300&w=458 "2,8,17,23,31,33-hexaazaheptacyclo[22.6.1.1(3,7).1(9,16).1(18,22).0(10,15).0(25,30)]tetratriaconta-1(31),3(34),4,6,8,10,12,14,16(33),18(32),19,21,23,25,27,29-hexadecaene")
| SpectraBase Compound ID | Cvbuqe4DKck |
|---|---|
| InChI | InChI=1S/C28H18N6/c1-2-12-22-21(11-1)25-29-17-7-5-9-19(15-17)31-27-23-13-3-4-14-24(23)28(34-27)32-20-10-6-8-18(16-20)30-26(22)33-25/h1-16H,(H,29,30,33)(H,31,32,34) |
| InChIKey | PITGSQSQGJDIOP-UHFFFAOYSA-N |
| Mol Weight | 438.49 g/mol |
| Molecular Formula | C28H18N6 |
| Exact Mass | 438.159295 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EyqaBdflmDm |
|---|---|
| Name | 2,8,17,23,31,33-hexaazaheptacyclo[22.6.1.1(3,7).1(9,16).1(18,22).0(10,15).0(25,30)]tetratriaconta-1(31),3(34),4,6,8,10,12,14,16(33),18(32),19,21,23,25,27,29-hexadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H18N6 |
| InChI | InChI=1S/C28H18N6/c1-2-12-22-21(11-1)25-29-17-7-5-9-19(15-17)31-27-23-13-3-4-14-24(23)28(34-27)32-20-10-6-8-18(16-20)30-26(22)33-25/h1-16H,(H,29,30,33)(H,31,32,34) |
| InChIKey | PITGSQSQGJDIOP-UHFFFAOYSA-N |
| Molecular Weight | 438.494 g/mol |
| SMILES | N1C=2c3ccccc3\C(=N/c3cccc(c3)NC3=N\C(=N/c4cccc1c4)c1ccccc31)N2 |
| SPLASH | splash10-000i-3220900000-1793b27d952b1309f334 |
| Source of Spectrum | JX-2015-4-461 |
| Wiley ID | 1725895 |