| SpectraBase Compound ID | J2IeARIyHYu |
|---|---|
| InChI | InChI=1S/C10H7N3O4/c1-6(14)12-9-4-7(13(16)17)2-3-8(9)11-5-10(12)15/h2-5H,1H3 |
| InChIKey | XVWZTGNIZJQBRW-UHFFFAOYSA-N |
| Mol Weight | 233.18 g/mol |
| Molecular Formula | C10H7N3O4 |
| Exact Mass | 233.043656 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4OXD9x7Is31 |
|---|---|
| Name | 7-Nitro-2(1H)-quinoxalinone, ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.043655713 u |
| Formula | C10H7N3O4 |
| InChI | InChI=1S/C10H7N3O4/c1-6(14)12-9-4-7(13(16)17)2-3-8(9)11-5-10(12)15/h2-5H,1H3 |
| InChIKey | XVWZTGNIZJQBRW-UHFFFAOYSA-N |
| SMILES | C1(N(C2=C(N=C1)C=CC(=C2)N(=O)=O)C(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955867 |