| SpectraBase Compound ID | 6pQDEePWJMc |
|---|---|
| InChI | InChI=1S/C8H5N3O3/c12-8-6-2-1-5(11(13)14)3-7(6)9-4-10-8/h1-4H,(H,9,10,12) |
| InChIKey | LPCJURLBTXOJHS-UHFFFAOYSA-N |
| Mol Weight | 191.15 g/mol |
| Molecular Formula | C8H5N3O3 |
| Exact Mass | 191.033091 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DRwnnGv19U1 |
|---|---|
| Name | 7-Nitro-4(3H)-quinazolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.033091030 u |
| Formula | C8H5N3O3 |
| InChI | InChI=1S/C8H5N3O3/c12-8-6-2-1-5(11(13)14)3-7(6)9-4-10-8/h1-4H,(H,9,10,12) |
| InChIKey | LPCJURLBTXOJHS-UHFFFAOYSA-N |
| SMILES | N1C(C2=C(C=C(C=C2)N(=O)=O)N=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.995957 |