| SpectraBase Compound ID | JAJA7TcAvfa |
|---|---|
| InChI | InChI=1S/C21H16BrN/c22-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)23-16-18-6-2-1-3-7-18/h1-9,11-12,14-15,23H,16H2 |
| InChIKey | CPTPEICQAAEPGS-UHFFFAOYSA-N |
| Mol Weight | 362.27 g/mol |
| Molecular Formula | C21H16BrN |
| Exact Mass | 361.046613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AQfnXNA1Ob |
|---|---|
| Name | N-Benzyl-2-(4-bromophenylethynyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.046612519 u |
| Formula | C21H16BrN |
| InChI | InChI=1S/C21H16BrN/c22-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)23-16-18-6-2-1-3-7-18/h1-9,11-12,14-15,23H,16H2 |
| InChIKey | CPTPEICQAAEPGS-UHFFFAOYSA-N |
| Molecular Weight | 362.270 g/mol |
| SMILES | C=1(NCC=2C=CC=CC2)C(=CC=CC1)C#CC=1C=CC(=CC1)Br |