| SpectraBase Compound ID | KnpZMp4iCBp |
|---|---|
| InChI | InChI=1S/C14H11N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,15H2 |
| InChIKey | ODFQRHOQXHVJTQ-UHFFFAOYSA-N |
| Mol Weight | 193.25 g/mol |
| Molecular Formula | C14H11N |
| Exact Mass | 193.089149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CzVbBve8bL6 |
|---|---|
| Name | 4-(2-Phenylethynyl)benzenamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.089149358 u |
| Formula | C14H11N |
| InChI | InChI=1S/C14H11N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,15H2 |
| InChIKey | ODFQRHOQXHVJTQ-UHFFFAOYSA-N |
| Molecular Weight | 193.249 g/mol |
| SMILES | C=1C=CC=C(C1)C#CC1=CC=C(C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930021 |