| SpectraBase Compound ID | AYNZDOpBkn7 |
|---|---|
| InChI | InChI=1S/C16H15N/c1-13(11-12-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13H,11H2,1H3 |
| InChIKey | KGUQNHGQJFLEPM-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C16H15N |
| Exact Mass | 221.120449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5lGap3T0kL5 |
|---|---|
| Name | 3-(1,1'-Biphenyl-4-yl)butanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.120449487 u |
| Formula | C16H15N |
| InChI | InChI=1S/C16H15N/c1-13(11-12-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13H,11H2,1H3 |
| InChIKey | KGUQNHGQJFLEPM-UHFFFAOYSA-N |
| Molecular Weight | 221.303 g/mol |
| SMILES | C1=CC=CC=C1C1=CC=C(C=C1)C(C)CC#N |