![[(E)-1-chloranylprop-1-en-2-yl]benzene](/api/spectrum/7XGIzTO3ots/structure.png?h=300&w=458 "[(E)-1-chloranylprop-1-en-2-yl]benzene")
| SpectraBase Compound ID | iaeHzwIOCY |
|---|---|
| InChI | InChI=1S/C9H9Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
| InChIKey | FQNCOLLVXRCXHU-BQYQJAHWSA-N |
| Mol Weight | 152.62 g/mol |
| Molecular Formula | C9H9Cl |
| Exact Mass | 152.039278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7XGIzTO3ots |
|---|---|
| Name | [(E)-1-Chloranylprop-1-en-2-yl]benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.039277990 u |
| Formula | C9H9Cl |
| InChI | InChI=1S/C9H9Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ |
| InChIKey | FQNCOLLVXRCXHU-BQYQJAHWSA-N |
| Molecular Weight | 152.624 g/mol |
| SMILES | C=1(\C(=C\Cl)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968265 |