| SpectraBase Compound ID | KDmJB3dUkVi |
|---|---|
| InChI | InChI=1S/C14H9N3/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,(H,16,17) |
| InChIKey | DMNIFQMBWMEOCO-UHFFFAOYSA-N |
| Mol Weight | 219.25 g/mol |
| Molecular Formula | C14H9N3 |
| Exact Mass | 219.079647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3r79DllfAW |
|---|---|
| Name | 2-Phenyl-1H-benzimidazole-5-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.079647302 u |
| Formula | C14H9N3 |
| InChI | InChI=1S/C14H9N3/c15-9-10-6-7-12-13(8-10)17-14(16-12)11-4-2-1-3-5-11/h1-8H,(H,16,17) |
| InChIKey | DMNIFQMBWMEOCO-UHFFFAOYSA-N |
| Molecular Weight | 219.247 g/mol |
| SMILES | C1(=NC=2C(N1)=CC=C(C2)C#N)C=1C=CC=CC1 |