![Oxotriazacalix[2]arene[2](chloro)triazine](/api/spectrum/JoQggqgG7xv/structure.png?h=300&w=458 "Oxotriazacalix[2]arene[2](chloro)triazine")
| SpectraBase Compound ID | 1riljK7rLdG |
|---|---|
| InChI | InChI=1S/C18H11Cl2N9O/c19-13-24-15-21-9-3-1-4-10(7-9)22-17-26-14(20)27-18(29-17)30-12-6-2-5-11(8-12)23-16(25-13)28-15/h1-8H,(H,22,26,27,29)(H2,21,23,24,25,28) |
| InChIKey | NEURMBHTHUTSES-UHFFFAOYSA-N |
| Mol Weight | 440.25 g/mol |
| Molecular Formula | C18H11Cl2N9O |
| Exact Mass | 439.046361 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JoQggqgG7xv |
|---|---|
| Name | Oxotriazacalix[2]arene[2](chloro)triazine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11Cl2N9O |
| InChI | InChI=1S/C18H11Cl2N9O/c19-13-24-15-21-9-3-1-4-10(7-9)22-17-26-14(20)27-18(29-17)30-12-6-2-5-11(8-12)23-16(25-13)28-15/h1-8H,(H,22,26,27,29)(H2,21,23,24,25,28) |
| InChIKey | NEURMBHTHUTSES-UHFFFAOYSA-N |
| Molecular Weight | 440.254 g/mol |
| SMILES | N1c2cc(Oc3nc(nc(n3)Cl)Nc3cc(Nc4nc1nc(n4)Cl)ccc3)ccc2 |
| SPLASH | splash10-000f-0000900000-fd4703452d15e4a0c065 |
| Source of Spectrum | C-126-15414-12 |
| Wiley ID | 1701390 |