| SpectraBase Compound ID | LgjUA9OmIzK |
|---|---|
| InChI | InChI=1S/C10H8N6O/c1-16-9(8-12-14-15-13-8)11-7-5-3-2-4-6(7)10(16)17/h2-5H,1H3,(H,12,13,14,15) |
| InChIKey | JFGWZSOMVNHJCH-UHFFFAOYSA-N |
| Mol Weight | 228.21 g/mol |
| Molecular Formula | C10H8N6O |
| Exact Mass | 228.075959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhZsdB5wLIG |
|---|---|
| Name | 3-Methyl-2-(2H-1,2,3,4-tetrazol-5-yl)quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.075958901 u |
| Formula | C10H8N6O |
| InChI | InChI=1S/C10H8N6O/c1-16-9(8-12-14-15-13-8)11-7-5-3-2-4-6(7)10(16)17/h2-5H,1H3,(H,12,13,14,15) |
| InChIKey | JFGWZSOMVNHJCH-UHFFFAOYSA-N |
| Molecular Weight | 228.215 g/mol |
| SMILES | C=1(N(C(=O)C2=C(N1)C=CC=C2)C)C1=NN=NN1 |