| SpectraBase Compound ID | KnrnYGqT7kY |
|---|---|
| InChI | InChI=1S/C8H8N4/c1-10-12-11-8-4-2-7(6-9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | MOOVONBFLRIJPF-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C8H8N4 |
| Exact Mass | 160.074896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MSyNMPlAx5 |
|---|---|
| Name | Benzonitrile, 4-(3-methyl-1-triazenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.074896274 u |
| Formula | C8H8N4 |
| InChI | InChI=1S/C8H8N4/c1-10-12-11-8-4-2-7(6-9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | MOOVONBFLRIJPF-UHFFFAOYSA-N |
| Molecular Weight | 160.180 g/mol |
| SMILES | C1(\N=N\NC)=CC=C(C#N)C=C1 |