| SpectraBase Compound ID | A6KitjSXFC |
|---|---|
| InChI | InChI=1S/C14H8Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H |
| InChIKey | IWKTVIPYPZOUDE-UHFFFAOYSA-N |
| Mol Weight | 247.12 g/mol |
| Molecular Formula | C14H8Cl2 |
| Exact Mass | 246.000306 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B3ENQmmRty |
|---|---|
| Name | bis-(2-Chlorophenyl)acetylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.000305658 u |
| Formula | C14H8Cl2 |
| InChI | InChI=1S/C14H8Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H |
| InChIKey | IWKTVIPYPZOUDE-UHFFFAOYSA-N |
| Molecular Weight | 247.124 g/mol |
| SMILES | C=1(C(=CC=CC1)Cl)C#CC=1C(=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913277 |