| SpectraBase Compound ID | DSx2zKsb3UD |
|---|---|
| InChI | InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2 |
| InChIKey | PCKAZQYWUDIFQM-UHFFFAOYSA-N |
| Mol Weight | 158.16 g/mol |
| Molecular Formula | C8H6N4 |
| Exact Mass | 158.059246 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GW6XjSGUQXD |
|---|---|
| Name | 1,2-Benzenedicarbonitrile, 4,5-diamino- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.059246209 u |
| Formula | C8H6N4 |
| InChI | InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2 |
| InChIKey | PCKAZQYWUDIFQM-UHFFFAOYSA-N |
| SMILES | NC1=CC(=C(C=C1N)C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.966209 |