| SpectraBase Compound ID | F8qgbUa1OJi |
|---|---|
| InChI | InChI=1S/C16H11N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-5,8-11H,1H3 |
| InChIKey | VOVVWXDKQIHWIA-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C16H11N |
| Exact Mass | 217.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qgU74lJZ0j |
|---|---|
| Name | 4-(p-Tolylethynyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.089149358 u |
| Formula | C16H11N |
| InChI | InChI=1S/C16H11N/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(12-17)11-9-15/h2-5,8-11H,1H3 |
| InChIKey | VOVVWXDKQIHWIA-UHFFFAOYSA-N |
| Molecular Weight | 217.271 g/mol |
| SMILES | C(C=1C=CC(=CC1)C#CC=1C=CC(=CC1)C)#N |