| SpectraBase Compound ID | KW7ezzIuE9a |
|---|---|
| InChI | InChI=1S/C9H7ClO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-7H,1H2 |
| InChIKey | IJFJTMSLCXUHMW-UHFFFAOYSA-N |
| Mol Weight | 166.61 g/mol |
| Molecular Formula | C9H7ClO |
| Exact Mass | 166.018543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPy1RJY557F |
|---|---|
| Name | 1-Chloranyl-4-propa-1,2-dienoxy-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.018542544 u |
| Formula | C9H7ClO |
| InChI | InChI=1S/C9H7ClO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-7H,1H2 |
| InChIKey | IJFJTMSLCXUHMW-UHFFFAOYSA-N |
| Molecular Weight | 166.607 g/mol |
| SMILES | C(=C=C)OC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947666 |