| SpectraBase Compound ID | 839xrRsQaOE |
|---|---|
| InChI | InChI=1S/C9H5Cl2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13) |
| InChIKey | LXZBIKOKMYPBAN-UHFFFAOYSA-N |
| Mol Weight | 214.05 g/mol |
| Molecular Formula | C9H5Cl2NO |
| Exact Mass | 212.974819 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8MfFPwiH6mx |
|---|---|
| Name | 6,8-Dichloroquinolin-4(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.974819184 u |
| Formula | C9H5Cl2NO |
| InChI | InChI=1S/C9H5Cl2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13) |
| InChIKey | LXZBIKOKMYPBAN-UHFFFAOYSA-N |
| Molecular Weight | 214.051 g/mol |
| SMILES | C12=C(C(Cl)=CC(=C2)Cl)NC=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887359 |