![5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-methyl-](/api/spectrum/DBzQyKDT6d3/structure.png?h=300&w=458 "5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-methyl-")
| SpectraBase Compound ID | EqvcDf7LTC0 |
|---|---|
| InChI | InChI=1S/C8H9N3O2/c1-9-7(12)10-5-2-3-6(4-5)11(10)8(9)13/h2-3,5-6H,4H2,1H3 |
| InChIKey | QWJZPXDTVSNMNS-UHFFFAOYSA-N |
| Mol Weight | 179.18 g/mol |
| Molecular Formula | C8H9N3O2 |
| Exact Mass | 179.069477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBzQyKDT6d3 |
|---|---|
| Name | 5,8-Methano-1H-[1,2,4]triazolo[1,2-A]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.069476540 u |
| Formula | C8H9N3O2 |
| InChI | InChI=1S/C8H9N3O2/c1-9-7(12)10-5-2-3-6(4-5)11(10)8(9)13/h2-3,5-6H,4H2,1H3 |
| InChIKey | QWJZPXDTVSNMNS-UHFFFAOYSA-N |
| Molecular Weight | 179.179 g/mol |
| SMILES | C=1C2N3N(C(C1)C2)C(=O)N(C3=O)C |