| SpectraBase Compound ID | 2fc6pTJU7Su |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2 |
| InChIKey | DDZWOTNZLQMMLD-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EEmLPxg7NRP |
|---|---|
| Name | 2-Chloro-3-phenylpropanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2 |
| InChIKey | DDZWOTNZLQMMLD-UHFFFAOYSA-N |
| SMILES | C(=O)C(CC1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943429 |