| SpectraBase Compound ID | J8ELQTMAEiz |
|---|---|
| InChI | InChI=1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | WIUDWAAJQVNSOH-ZZXKWVIFSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3mfbt2uOt5W |
|---|---|
| Name | Ethyl 2-cyanocrotonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.063328532 u |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+ |
| InChIKey | WIUDWAAJQVNSOH-ZZXKWVIFSA-N |
| SMILES | C\C=C\(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96354 |