| SpectraBase Compound ID | HAUB5zouDz5 |
|---|---|
| InChI | InChI=1S/C22H19N/c1-18-11-13-19(14-12-18)15-16-21-9-5-6-10-22(21)23-17-20-7-3-2-4-8-20/h2-14,23H,17H2,1H3 |
| InChIKey | CJHFNVFDHIRMNR-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C22H19N |
| Exact Mass | 297.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8KcTRI5jbZ |
|---|---|
| Name | N-Benzyl-2-(p-tolylethynyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.151749616 u |
| Formula | C22H19N |
| InChI | InChI=1S/C22H19N/c1-18-11-13-19(14-12-18)15-16-21-9-5-6-10-22(21)23-17-20-7-3-2-4-8-20/h2-14,23H,17H2,1H3 |
| InChIKey | CJHFNVFDHIRMNR-UHFFFAOYSA-N |
| SMILES | C=1(NCC=2C=CC=CC2)C(=CC=CC1)C#CC=1C=CC(=CC1)C |