| SpectraBase Compound ID | ADJJXoey6vb |
|---|---|
| InChI | InChI=1S/C9H4Cl2N2O4/c10-9(11)7(14)5-3-4(13(16)17)1-2-6(5)12-8(9)15/h1-3H,(H,12,15) |
| InChIKey | RTIYVIHFKBPDBN-UHFFFAOYSA-N |
| Mol Weight | 275.05 g/mol |
| Molecular Formula | C9H4Cl2N2O4 |
| Exact Mass | 273.954812 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EzFiTCkbbyi |
|---|---|
| Name | 3,3-Dichloro-6-nitro-2,4(1H,3H)-quinolinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.954812013 u |
| Formula | C9H4Cl2N2O4 |
| InChI | InChI=1S/C9H4Cl2N2O4/c10-9(11)7(14)5-3-4(13(16)17)1-2-6(5)12-8(9)15/h1-3H,(H,12,15) |
| InChIKey | RTIYVIHFKBPDBN-UHFFFAOYSA-N |
| SMILES | C=1C2=C(C=C(C1)N(=O)=O)C(=O)C(Cl)(Cl)C(=O)N2 |
| Spectrum/Structure Validation Score (Raman) | 0.940049 |