| SpectraBase Compound ID | llAAvbjrZa |
|---|---|
| InChI | InChI=1S/C10H9Cl/c1-3-8(2)9-4-6-10(11)7-5-9/h4-7H,1H2,2H3 |
| InChIKey | FPCPPBYSXWASOY-UHFFFAOYSA-N |
| Mol Weight | 164.63 g/mol |
| Molecular Formula | C10H9Cl |
| Exact Mass | 164.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AKE3HxOU3lZ |
|---|---|
| Name | 1-(Buta-2,3-dien-2-yl)-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.039277990 u |
| Formula | C10H9Cl |
| InChI | InChI=1S/C10H9Cl/c1-3-8(2)9-4-6-10(11)7-5-9/h4-7H,1H2,2H3 |
| InChIKey | FPCPPBYSXWASOY-UHFFFAOYSA-N |
| Molecular Weight | 164.635 g/mol |
| SMILES | C(=C=C)(C=1C=CC(=CC1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890239 |