| SpectraBase Compound ID | AEeFyp8zMSr |
|---|---|
| InChI | InChI=1S/C21H17N/c1-15-6-10-17(11-7-15)19-4-3-5-20(21(19)14-22)18-12-8-16(2)9-13-18/h3-13H,1-2H3 |
| InChIKey | SZAOPFUXHWVBBI-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C21H17N |
| Exact Mass | 283.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRZl6O3GzGO |
|---|---|
| Name | 2,6-bis(4-Methylphenyl)benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.136099551 u |
| Formula | C21H17N |
| InChI | InChI=1S/C21H17N/c1-15-6-10-17(11-7-15)19-4-3-5-20(21(19)14-22)18-12-8-16(2)9-13-18/h3-13H,1-2H3 |
| InChIKey | SZAOPFUXHWVBBI-UHFFFAOYSA-N |
| Molecular Weight | 283.374 g/mol |
| SMILES | C=1(C(C=2C=CC(=CC2)C)=CC=CC1C=1C=CC(=CC1)C)C#N |