| SpectraBase Compound ID | 5w2tYKTE13X |
|---|---|
| InChI | InChI=1S/C10H9N3/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3,(H,12,13) |
| InChIKey | PDULDINSGIRDOX-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C10H9N3 |
| Exact Mass | 171.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHXAkyuaI9t |
|---|---|
| Name | (5-Methyl-1H-benzoimidazol-2-yl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.079647302 u |
| Formula | C10H9N3 |
| InChI | InChI=1S/C10H9N3/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3,(H,12,13) |
| InChIKey | PDULDINSGIRDOX-UHFFFAOYSA-N |
| Molecular Weight | 171.203 g/mol |
| SMILES | C1(=CC=C2C(=C1)N=C(CC#N)N2)C |