| SpectraBase Compound ID | 4E0qveg77Tk |
|---|---|
| InChI | InChI=1S/C14H9N3/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,17H |
| InChIKey | KEAMKSIAAKOAMC-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 | ASYJiN9r9NA |
|---|---|
| Name | 3-(4-Cyanophenylamino)benzonitrile |
| 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/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,17H |
| InChIKey | KEAMKSIAAKOAMC-UHFFFAOYSA-N |
| Molecular Weight | 219.247 g/mol |
| SMILES | C=1C(=CC(=CC1)C#N)NC1=CC=C(C#N)C=C1 |