| SpectraBase Compound ID | 80XvwnpKolg |
|---|---|
| InChI | InChI=1S/C9H6Cl2O/c10-8(6-12)5-7-3-1-2-4-9(7)11/h1-6H/b8-5- |
| InChIKey | OKROQTKNZUIQIA-YVMONPNESA-N |
| Mol Weight | 201.05 g/mol |
| Molecular Formula | C9H6Cl2O |
| Exact Mass | 199.97957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4f27F0Kk378 |
|---|---|
| Name | (2Z)-2-Chloro-3-(2-chlorophenyl)acrylaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.979570212 u |
| Formula | C9H6Cl2O |
| InChI | InChI=1S/C9H6Cl2O/c10-8(6-12)5-7-3-1-2-4-9(7)11/h1-6H/b8-5- |
| InChIKey | OKROQTKNZUIQIA-YVMONPNESA-N |
| Molecular Weight | 201.052 g/mol |
| SMILES | C=1C=CC=C(C1\C=C\(C=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887646 |