| SpectraBase Compound ID | 2FDUl1zKjym |
|---|---|
| InChI | InChI=1S/C9H8Cl2O/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | ABTYPOQRRMEIMH-UHFFFAOYSA-N |
| Mol Weight | 203.07 g/mol |
| Molecular Formula | C9H8Cl2O |
| Exact Mass | 201.99522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6xuxBWcl4vB |
|---|---|
| Name | 1-Chloro-3-(4-chlorophenyl)propan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.995220277 u |
| Formula | C9H8Cl2O |
| InChI | InChI=1S/C9H8Cl2O/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2 |
| InChIKey | ABTYPOQRRMEIMH-UHFFFAOYSA-N |
| Molecular Weight | 203.068 g/mol |
| SMILES | C(Cl)C(CC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939859 |