| SpectraBase Compound ID | 4RSEKekU5xS |
|---|---|
| InChI | InChI=1S/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | GDWZLADUGAKASM-UHFFFAOYSA-N |
| Mol Weight | 136.58 g/mol |
| Molecular Formula | C8H5Cl |
| Exact Mass | 136.007978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EpeSHcEJ0zm |
|---|---|
| Name | 2-Chloroethynylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.007977861 u |
| Formula | C8H5Cl |
| InChI | InChI=1S/C8H5Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H |
| InChIKey | GDWZLADUGAKASM-UHFFFAOYSA-N |
| SMILES | C(Cl)#CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953858 |