| SpectraBase Compound ID | 1dOd2L0Da3h |
|---|---|
| InChI | InChI=1S/C5H7NO2/c1-4(3-6)5(7)8-2/h4H,1-2H3 |
| InChIKey | GWHHQWUYMDWMAY-UHFFFAOYSA-N |
| Mol Weight | 113.12 g/mol |
| Molecular Formula | C5H7NO2 |
| Exact Mass | 113.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 209FFAfCSwE |
|---|---|
| Name | 2-Cyanopropanoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.047678467 u |
| Formula | C5H7NO2 |
| InChI | InChI=1S/C5H7NO2/c1-4(3-6)5(7)8-2/h4H,1-2H3 |
| InChIKey | GWHHQWUYMDWMAY-UHFFFAOYSA-N |
| Molecular Weight | 113.116 g/mol |
| SMILES | C(C(C#N)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975002 |