![2-[p-Cyanophenyl]-5-chlorobenzimidazole](/api/spectrum/3WevEgNz0Yb/structure.png?h=300&w=458 "2-[p-Cyanophenyl]-5-chlorobenzimidazole")
| SpectraBase Compound ID | 351CBLRViXN |
|---|---|
| InChI | InChI=1S/C14H8ClN3/c15-11-5-6-12-13(7-11)18-14(17-12)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18) |
| InChIKey | UTADKFJRRZDHFW-UHFFFAOYSA-N |
| Mol Weight | 253.69 g/mol |
| Molecular Formula | C14H8ClN3 |
| Exact Mass | 253.040675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WevEgNz0Yb |
|---|---|
| Name | 2-[p-Cyanophenyl]-5-chlorobenzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.040674970 u |
| Formula | C14H8ClN3 |
| InChI | InChI=1S/C14H8ClN3/c15-11-5-6-12-13(7-11)18-14(17-12)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18) |
| InChIKey | UTADKFJRRZDHFW-UHFFFAOYSA-N |
| Molecular Weight | 253.692 g/mol |
| SMILES | C1=CC(=CC2=C1NC(=N2)C1=CC=C(C=C1)C#N)Cl |