| SpectraBase Compound ID | IwuFaIUbEYN |
|---|---|
| InChI | InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2 |
| InChIKey | LUSFCTSUDCCYLQ-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C11H9N3 |
| Exact Mass | 183.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I180ATOy3T7 |
|---|---|
| Name | 4-(1H-Imidazol-1-ylmethyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.079647302 u |
| Formula | C11H9N3 |
| InChI | InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2 |
| InChIKey | LUSFCTSUDCCYLQ-UHFFFAOYSA-N |
| Molecular Weight | 183.214 g/mol |
| SMILES | C=1N(C=CN1)CC1=CC=C(C=C1)C#N |