| SpectraBase Compound ID | 4Jjpxu5RZsT |
|---|---|
| InChI | InChI=1S/C5H11NO2/c1-6-4-3-5(7)8-2/h6H,3-4H2,1-2H3 |
| InChIKey | NGNUXOCKVMKGQL-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C5H11NO2 |
| Exact Mass | 117.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K8aFEyLM7NP |
|---|---|
| Name | .beta.-Alanine, N-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.078978596 u |
| Formula | C5H11NO2 |
| InChI | InChI=1S/C5H11NO2/c1-6-4-3-5(7)8-2/h6H,3-4H2,1-2H3 |
| InChIKey | NGNUXOCKVMKGQL-UHFFFAOYSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | C(NC)CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981904 |