| SpectraBase Compound ID | LVr71Foy0d8 |
|---|---|
| InChI | InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H |
| InChIKey | BDTIGNGBIBFXSE-UHFFFAOYSA-N |
| Mol Weight | 199.17 g/mol |
| Molecular Formula | C10H5N3O2 |
| Exact Mass | 199.038176 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CmZYNfdR4UM |
|---|---|
| Name | (p-Nitrobenzylidene)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.038176411 u |
| Formula | C10H5N3O2 |
| InChI | InChI=1S/C10H5N3O2/c11-6-9(7-12)5-8-1-3-10(4-2-8)13(14)15/h1-5H |
| InChIKey | BDTIGNGBIBFXSE-UHFFFAOYSA-N |
| Molecular Weight | 199.169 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.819421 |