| SpectraBase Compound ID | 4ZnrUg72QRQ |
|---|---|
| InChI | InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H |
| InChIKey | YPEUTQKEMPFPKO-UHFFFAOYSA-N |
| Mol Weight | 235.15 g/mol |
| Molecular Formula | C9H5N3O5 |
| Exact Mass | 235.02292 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 26e2hK0jZ0s |
|---|---|
| Name | 5,7-Dinitro-8-quinolinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.022920268 u |
| Formula | C9H5N3O5 |
| InChI | InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H |
| InChIKey | YPEUTQKEMPFPKO-UHFFFAOYSA-N |
| Molecular Weight | 235.155 g/mol |
| SMILES | OC1=C(C=C(C=2C=CC=NC12)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.979484 |