| SpectraBase Compound ID | Fn2pgLMJoKa |
|---|---|
| InChI | InChI=1S/C11H11Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,7-9H,6,10H2 |
| InChIKey | GJPITIRQOAOZFL-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C11H11Cl |
| Exact Mass | 178.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7wZycAkN9qi |
|---|---|
| Name | Benzene, (5-chloro-1,2-pentadienyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.054928054 u |
| Formula | C11H11Cl |
| InChI | InChI=1S/C11H11Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,7-9H,6,10H2 |
| InChIKey | GJPITIRQOAOZFL-UHFFFAOYSA-N |
| Molecular Weight | 178.662 g/mol |
| SMILES | C(=C=CCCCl)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899341 |