| SpectraBase Compound ID | BdOdqqmOPZm |
|---|---|
| InChI | InChI=1S/C16H11NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,1H3 |
| InChIKey | JZBSHULPFLMTGB-UHFFFAOYSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C16H11NO |
| Exact Mass | 233.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpkBYYrnmzi |
|---|---|
| Name | Benzonitrile, 4-[2-(4-methoxyphenyl)ethynyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.084063977 u |
| Formula | C16H11NO |
| InChI | InChI=1S/C16H11NO/c1-18-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h4-11H,1H3 |
| InChIKey | JZBSHULPFLMTGB-UHFFFAOYSA-N |
| Molecular Weight | 233.270 g/mol |
| SMILES | COC1=CC=C(C=C1)C#CC1=CC=C(C=C1)C#N |