![[(E)-4-chloranylbut-2-enyl]benzene](/api/spectrum/GVzEjGeUzc9/structure.png?h=300&w=458 "[(E)-4-chloranylbut-2-enyl]benzene")
| SpectraBase Compound ID | WAAxlfLNi0 |
|---|---|
| InChI | InChI=1S/C10H11Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7H,8-9H2/b5-4+ |
| InChIKey | CWSAGTDWRVNVLC-SNAWJCMRSA-N |
| Mol Weight | 166.65 g/mol |
| Molecular Formula | C10H11Cl |
| Exact Mass | 166.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GVzEjGeUzc9 |
|---|---|
| Name | [(E)-4-Chloranylbut-2-enyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.054928054 u |
| Formula | C10H11Cl |
| InChI | InChI=1S/C10H11Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7H,8-9H2/b5-4+ |
| InChIKey | CWSAGTDWRVNVLC-SNAWJCMRSA-N |
| Molecular Weight | 166.651 g/mol |
| SMILES | C(\C=C\CC=1C=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985425 |