| SpectraBase Compound ID | 3mKkWY3FCz7 |
|---|---|
| InChI | InChI=1S/C12H10N2O2/c1-15-11-3-4-12(16-2)10(6-11)5-9(7-13)8-14/h3-6H,1-2H3 |
| InChIKey | SHAPCXXRYMVHIF-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C12H10N2O2 |
| Exact Mass | 214.074228 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EHxSv2iGnQL |
|---|---|
| Name | (2,5-Dimethoxybenzylidene)malononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.074227568 u |
| Formula | C12H10N2O2 |
| InChI | InChI=1S/C12H10N2O2/c1-15-11-3-4-12(16-2)10(6-11)5-9(7-13)8-14/h3-6H,1-2H3 |
| InChIKey | SHAPCXXRYMVHIF-UHFFFAOYSA-N |
| Molecular Weight | 214.224 g/mol |
| SMILES | C=1C=C(C(=CC1OC)C=C(C#N)C#N)OC |
| Spectrum/Structure Validation Score (Raman) | 0.85729 |