| SpectraBase Compound ID | 8GkftH65jJO |
|---|---|
| InChI | InChI=1S/C11H11N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-8H,2H2,1H3/b10-8+ |
| InChIKey | KXIKZCHTYSTVNI-CSKARUKUSA-N |
| Mol Weight | 157.22 g/mol |
| Molecular Formula | C11H11N |
| Exact Mass | 157.089149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ivq0oDSDS7 |
|---|---|
| Name | 3-Phenyl-2-pentenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.089149358 u |
| Formula | C11H11N |
| InChI | InChI=1S/C11H11N/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-8H,2H2,1H3/b10-8+ |
| InChIKey | KXIKZCHTYSTVNI-CSKARUKUSA-N |
| Molecular Weight | 157.216 g/mol |
| SMILES | C1(=CC=CC=C1)\C(=C\C#N)CC |