| SpectraBase Compound ID | InABpJ1Wkxf |
|---|---|
| InChI | InChI=1S/C9H8N6O/c16-8-6-12-15-9(13-8)14-11-5-7-1-3-10-4-2-7/h1-6H,(H2,13,14,15,16)/b11-5+ |
| InChIKey | VQAXOMHUTHSZLY-VZUCSPMQSA-N |
| Mol Weight | 216.2 g/mol |
| Molecular Formula | C9H8N6O |
| Exact Mass | 216.075959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rsWdw0uHRV |
|---|---|
| Name | 4-Pyridinecarboxaldehyde, (4,5-dihydro-5-oxo-1,2,4-triazin-3-yl)hydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.075958901 u |
| Formula | C9H8N6O |
| InChI | InChI=1S/C9H8N6O/c16-8-6-12-15-9(13-8)14-11-5-7-1-3-10-4-2-7/h1-6H,(H2,13,14,15,16)/b11-5+ |
| InChIKey | VQAXOMHUTHSZLY-VZUCSPMQSA-N |
| Molecular Weight | 216.204 g/mol |
| SMILES | N(\N=C\C=1C=CN=CC1)C=1NC(C=NN1)=O |