| SpectraBase Compound ID | FNwbAeQoSeS |
|---|---|
| InChI | InChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2 |
| InChIKey | KCCRGNPICGXCCY-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LASjphPPNaf |
|---|---|
| Name | Benzenepentanenitrilebutyl cyanide, 4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.104799423 u |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9H2 |
| InChIKey | KCCRGNPICGXCCY-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| SMILES | C1=CC(=CC=C1)CCCCC#N |