| SpectraBase Compound ID | DzA4Zt8UIuT |
|---|---|
| InChI | InChI=1S/C9H4ClNO2/c10-6-4-7(12)8-5(9(6)13)2-1-3-11-8/h1-4H |
| InChIKey | OXNXJIXVWGVRBG-UHFFFAOYSA-N |
| Mol Weight | 193.59 g/mol |
| Molecular Formula | C9H4ClNO2 |
| Exact Mass | 192.993056 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AZ3QhXfoIQm |
|---|---|
| Name | 6-Chloro-5,8-quinolinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.993056071 u |
| Formula | C9H4ClNO2 |
| InChI | InChI=1S/C9H4ClNO2/c10-6-4-7(12)8-5(9(6)13)2-1-3-11-8/h1-4H |
| InChIKey | OXNXJIXVWGVRBG-UHFFFAOYSA-N |
| Molecular Weight | 193.589 g/mol |
| SMILES | C=12C=CC=NC1C(C=C(C2=O)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.821422 |