![6H-[1,2,4]Triazino[4,3-b]-1,2,4,5-tetrazin-6-one, 1,2,3,4-tetrahydro-1,7-dimethyl-3-phenyl-](/api/spectrum/1uq1DsWeqzW/structure.png?h=300&w=458 "6H-[1,2,4]Triazino[4,3-b]-1,2,4,5-tetrazin-6-one, 1,2,3,4-tetrahydro-1,7-dimethyl-3-phenyl-")
| SpectraBase Compound ID | 5GzUyUU2i4f |
|---|---|
| InChI | InChI=1S/C12H14N6O/c1-8-11(19)18-12(14-13-8)17(2)15-10(16-18)9-6-4-3-5-7-9/h3-7,10,15-16H,1-2H3 |
| InChIKey | MWSSDCASPWDJBF-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C12H14N6O |
| Exact Mass | 258.122909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1uq1DsWeqzW |
|---|---|
| Name | 6H-[1,2,4]Triazino[4,3-b]-1,2,4,5-tetrazin-6-one, 1,2,3,4-tetrahydro-1,7-dimethyl-3-phenyl- |
| CAS Registry Number | 116471-26-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14N6O |
| InChI | InChI=1S/C12H14N6O/c1-8-11(19)18-12(14-13-8)17(2)15-10(16-18)9-6-4-3-5-7-9/h3-7,10,15-16H,1-2H3 |
| InChIKey | MWSSDCASPWDJBF-UHFFFAOYSA-N |
| Molecular Weight | 258.285 g/mol |
| SMILES | N1N(C2=NN=C(C(N2NC1c1ccccc1)=O)C)C |
| SPLASH | splash10-001i-2920000000-64440728042b2147d187 |
| Source of Spectrum | F-44-2256-6 |
| Synonyms | 1,7-Dimethyl-3-phenyl-1,2,3,4-tetrahydro-6H-[1,2,4]triazino[4,3-b][1,2,4,5]tetraazin-6-one 1,2,3,4-Tetrahydro-1,7-dimethyl-3-phenyl(6H)[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one 1,7-Dimethyl-3-phenyl-3,4-dihydro-2H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one |
| Wiley ID | 1261372 |