![[(E)-4-chloranylbut-3-en-1-ynyl]benzene](/api/spectrum/GYHsG7lzusE/structure.png?h=300&w=458 "[(E)-4-chloranylbut-3-en-1-ynyl]benzene")
| SpectraBase Compound ID | EPD3NK9gXMn |
|---|---|
| InChI | InChI=1S/C10H7Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5+ |
| InChIKey | JDSKJYPUGMIYIU-WEVVVXLNSA-N |
| Mol Weight | 162.62 g/mol |
| Molecular Formula | C10H7Cl |
| Exact Mass | 162.023628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GYHsG7lzusE |
|---|---|
| Name | [(E)-4-Chloranylbut-3-en-1-ynyl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.023627925 u |
| Formula | C10H7Cl |
| InChI | InChI=1S/C10H7Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H/b9-5+ |
| InChIKey | JDSKJYPUGMIYIU-WEVVVXLNSA-N |
| Molecular Weight | 162.619 g/mol |
| SMILES | C(#CC1=CC=CC=C1)\C=C\Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821982 |