| SpectraBase Compound ID | 1K6qF7XOEep |
|---|---|
| InChI | InChI=1S/C9H7N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,1H3,(H,11,12) |
| InChIKey | QPFHANMJUAOJKH-UHFFFAOYSA-N |
| Mol Weight | 157.18 g/mol |
| Molecular Formula | C9H7N3 |
| Exact Mass | 157.063997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16eUugpw1H9 |
|---|---|
| Name | 2-Methyl-5(6)-cyanobenzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.063997237 u |
| Formula | C9H7N3 |
| InChI | InChI=1S/C9H7N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,1H3,(H,11,12) |
| InChIKey | QPFHANMJUAOJKH-UHFFFAOYSA-N |
| Molecular Weight | 157.176 g/mol |
| SMILES | C12=C(C=CC(=C2)C#N)NC(=N1)C |