| SpectraBase Compound ID | 2ddfKMsrJUF |
|---|---|
| InChI | InChI=1S/C21H17N/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14,22H,17H2 |
| InChIKey | IBVZZAGOGYLVHY-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C21H17N |
| Exact Mass | 283.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I05ZxjTI6XZ |
|---|---|
| Name | N-Benzyl-2-(phenylethynyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.136099551 u |
| Formula | C21H17N |
| InChI | InChI=1S/C21H17N/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(20)22-17-19-11-5-2-6-12-19/h1-14,22H,17H2 |
| InChIKey | IBVZZAGOGYLVHY-UHFFFAOYSA-N |
| Molecular Weight | 283.374 g/mol |
| SMILES | C=1(NCC=2C=CC=CC2)C(=CC=CC1)C#CC=1C=CC=CC1 |