![1,2,4-Triazolo[1,2-a]-1,2,4,5-tetrazine-1,3,5-trione, 2,8-diphenyl-2,3,5,8(1H)-tetahydro-](/api/spectrum/9rk9RywFa9y/structure.png?h=300&w=458 "1,2,4-Triazolo[1,2-a]-1,2,4,5-tetrazine-1,3,5-trione, 2,8-diphenyl-2,3,5,8(1H)-tetahydro-")
| SpectraBase Compound ID | KGSkO3SBbss |
|---|---|
| InChI | InChI=1S/C16H11N5O3/c22-14-18-17-13(11-7-3-1-4-8-11)20-15(23)19(16(24)21(14)20)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | CKTUHTAWFKVFEM-UHFFFAOYSA-N |
| Mol Weight | 321.3 g/mol |
| Molecular Formula | C16H11N5O3 |
| Exact Mass | 321.086189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rk9RywFa9y |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C16H11N5O3 |
| InChI | InChI=1S/C16H11N5O3/c22-14-18-17-13(11-7-3-1-4-8-11)20-15(23)19(16(24)21(14)20)12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | CKTUHTAWFKVFEM-UHFFFAOYSA-N |
| Molecular Weight | 321.0860 |
| SMILES | C1(N=NC(N2C(N(C(N12)=O)c1ccccc1)=O)c1ccccc1)=O |
| SPLASH | splash10-0fk9-8925000000-3274c7ce78ed999b4de2 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |