| SpectraBase Compound ID | CIcbQ8XCdOF |
|---|---|
| InChI | InChI=1S/C14H17Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-5,8H2,1H3 |
| InChIKey | ZZMCYQBJZOBCCY-UHFFFAOYSA-N |
| Mol Weight | 220.74 g/mol |
| Molecular Formula | C14H17Cl |
| Exact Mass | 220.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2AGeh8qKWl7 |
|---|---|
| Name | 1-Chloro-4-(oct-2-ynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.101878247 u |
| Formula | C14H17Cl |
| InChI | InChI=1S/C14H17Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-5,8H2,1H3 |
| InChIKey | ZZMCYQBJZOBCCY-UHFFFAOYSA-N |
| Molecular Weight | 220.743 g/mol |
| SMILES | C=1(Cl)C=CC(=CC1)CC#CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801347 |