| SpectraBase Compound ID | GDHVnmVpvDU |
|---|---|
| InChI | InChI=1S/C17H13N3/c1-20-16-10-6-5-9-15(16)19-17(20)14(12-18)11-13-7-3-2-4-8-13/h2-11H,1H3/b14-11+ |
| InChIKey | WXOPPNKHEQZIEB-SDNWHVSQSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C17H13N3 |
| Exact Mass | 259.110947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bn9wGsiyr3w |
|---|---|
| Name | Trans-alpha-benzylidene-1-methyl-2-benzimidazoleacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.110947431 u |
| Formula | C17H13N3 |
| InChI | InChI=1S/C17H13N3/c1-20-16-10-6-5-9-15(16)19-17(20)14(12-18)11-13-7-3-2-4-8-13/h2-11H,1H3/b14-11+ |
| InChIKey | WXOPPNKHEQZIEB-SDNWHVSQSA-N |
| Molecular Weight | 259.312 g/mol |
| SMILES | C=12C=CC=CC1N(C(=N2)\C(=C\C=1C=CC=CC1)C#N)C |