| SpectraBase Compound ID | E5KE17iuACL |
|---|---|
| InChI | InChI=1S/C9H6Cl2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-6H/b6-5+ |
| InChIKey | AFEZYOURVADYHX-AATRIKPKSA-N |
| Mol Weight | 201.05 g/mol |
| Molecular Formula | C9H6Cl2O |
| Exact Mass | 199.97957 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KA42E43WNdG |
|---|---|
| Name | 2-Propen-1-one, 3-chloro-1-(2-chlorophenyl)- |
| 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/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-6H/b6-5+ |
| InChIKey | AFEZYOURVADYHX-AATRIKPKSA-N |
| Molecular Weight | 201.052 g/mol |
| SMILES | C1(=CC=CC=C1Cl)C(\C=C\Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.882193 |