| SpectraBase Compound ID | 7ibJRtNYwqv |
|---|---|
| InChI | InChI=1S/C12H8N4O/c17-12(9-5-7-13-8-6-9)16-11-4-2-1-3-10(11)14-15-16/h1-8H |
| InChIKey | FVEXIHSMWMFMRK-UHFFFAOYSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C12H8N4O |
| Exact Mass | 224.069811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gt0Pi4jwhZz |
|---|---|
| Name | 1-(4-Pyridylcarbonyl)benzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.069810893 u |
| Formula | C12H8N4O |
| InChI | InChI=1S/C12H8N4O/c17-12(9-5-7-13-8-6-9)16-11-4-2-1-3-10(11)14-15-16/h1-8H |
| InChIKey | FVEXIHSMWMFMRK-UHFFFAOYSA-N |
| Molecular Weight | 224.223 g/mol |
| SMILES | C=12N=NN(C2=CC=CC1)C(=O)C1=CC=NC=C1 |