| SpectraBase Compound ID | 7tVolCzOGXG |
|---|---|
| InChI | InChI=1S/C16H10N2/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-10H |
| InChIKey | MGZBXPYAOHDAGU-UHFFFAOYSA-N |
| Mol Weight | 230.27 g/mol |
| Molecular Formula | C16H10N2 |
| Exact Mass | 230.084398 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G9vi3bfiRT4 |
|---|---|
| Name | (p-Phenylbenzylidene)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.084398330 u |
| Formula | C16H10N2 |
| InChI | InChI=1S/C16H10N2/c17-11-14(12-18)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-10H |
| InChIKey | MGZBXPYAOHDAGU-UHFFFAOYSA-N |
| Molecular Weight | 230.270 g/mol |
| SMILES | C=1C(=CC=CC1)C=1C=CC(=CC1)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.928747 |