| SpectraBase Compound ID | DDHmLUM2HWz |
|---|---|
| InChI | InChI=1S/C22H22N2/c1-2-3-5-10-21-20(18-13-11-17(16-23)12-14-18)15-22(24-21)19-8-6-4-7-9-19/h4,6-9,11-15,24H,2-3,5,10H2,1H3 |
| InChIKey | KLXPJAWCMANEJP-UHFFFAOYSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C22H22N2 |
| Exact Mass | 314.178299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 28jRmMiGweb |
|---|---|
| Name | 4-(2-Pentyl-5-phenyl-1H-pyrrol-3-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.178298716 u |
| Formula | C22H22N2 |
| InChI | InChI=1S/C22H22N2/c1-2-3-5-10-21-20(18-13-11-17(16-23)12-14-18)15-22(24-21)19-8-6-4-7-9-19/h4,6-9,11-15,24H,2-3,5,10H2,1H3 |
| InChIKey | KLXPJAWCMANEJP-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)C1=C(NC(=C1)C=1C=CC=CC1)CCCCC)#N |