| SpectraBase Compound ID | I8EqNgm9MeV |
|---|---|
| InChI | InChI=1S/C9H7ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h2-6H,1H2 |
| InChIKey | GZVMFSAUHKADTG-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 | 4c9zNXveFUr |
|---|---|
| Name | 1-(3-Chlorophenyl)prop-2-en-1-one |
| 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/c1-2-9(11)7-4-3-5-8(10)6-7/h2-6H,1H2 |
| InChIKey | GZVMFSAUHKADTG-UHFFFAOYSA-N |
| Molecular Weight | 166.607 g/mol |
| SMILES | C(C=C)(=O)C1=CC(=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849854 |