| SpectraBase Compound ID | ZhpQos6t6d |
|---|---|
| InChI | InChI=1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | YMZAAGCDWVIPNL-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C14H9Cl |
| Exact Mass | 212.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A3JDTNXHqm3 |
|---|---|
| Name | 1-Chloro-4-(2-phenylethynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.039277990 u |
| Formula | C14H9Cl |
| InChI | InChI=1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | YMZAAGCDWVIPNL-UHFFFAOYSA-N |
| Molecular Weight | 212.679 g/mol |
| SMILES | C=1(Cl)C=CC(C#CC=2C=CC=CC2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863445 |