| SpectraBase Compound ID | 5wBGGJaSaCM |
|---|---|
| InChI | InChI=1S/C12H10N2O/c1-2-15-12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,2H2,1H3 |
| InChIKey | KJYWHLYEROGTCD-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C12H10N2O |
| Exact Mass | 198.079313 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1ogg2lK4dvJ |
|---|---|
| Name | (p-Ethoxybenzylidene)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.079312949 u |
| Formula | C12H10N2O |
| InChI | InChI=1S/C12H10N2O/c1-2-15-12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,2H2,1H3 |
| InChIKey | KJYWHLYEROGTCD-UHFFFAOYSA-N |
| Molecular Weight | 198.225 g/mol |
| SMILES | C=1C(=CC=C(C1)OCC)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.959506 |