| SpectraBase Compound ID | 5xWchvsM6Fx |
|---|---|
| InChI | InChI=1S/C9H6Cl2O/c10-9(11)5-6-3-1-2-4-7(6)8(9)12/h1-4H,5H2 |
| InChIKey | CYXGYDSWPPXXKA-UHFFFAOYSA-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 | 7mLWVA9YcaO |
|---|---|
| Name | 2,2-Dichloro-2,3-dihydro-1H-inden-1-one |
| 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/c10-9(11)5-6-3-1-2-4-7(6)8(9)12/h1-4H,5H2 |
| InChIKey | CYXGYDSWPPXXKA-UHFFFAOYSA-N |
| Molecular Weight | 201.052 g/mol |
| SMILES | C1(Cl)(C(C2=C(C1)C=CC=C2)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922543 |