| SpectraBase Compound ID | 50BzI7uiDlf |
|---|---|
| InChI | InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H |
| InChIKey | HABXLWPUIWFTNM-UHFFFAOYSA-N |
| Mol Weight | 194.15 g/mol |
| Molecular Formula | C8H6N2O4 |
| Exact Mass | 194.032757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BHCLKbqfXID |
|---|---|
| Name | p-beta-Dinitrostyrene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.032756677 u |
| Formula | C8H6N2O4 |
| InChI | InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H |
| InChIKey | HABXLWPUIWFTNM-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C=CC(C=CN(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.935217 |