| SpectraBase Compound ID | 94wZJ7pVNXY |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-7H,2H2,1H3,(H2,14,15) |
| InChIKey | JBVCLCDZCHMRCV-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EbfIg0zCkXd |
|---|---|
| Name | alpha-Cyano-p-ethoxycinnamamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c1-2-16-11-5-3-9(4-6-11)7-10(8-13)12(14)15/h3-7H,2H2,1H3,(H2,14,15) |
| InChIKey | JBVCLCDZCHMRCV-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | NC(C(=CC1=CC=C(C=C1)OCC)C#N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.991055 |