| SpectraBase Compound ID | KdBASApY2Qw |
|---|---|
| InChI | InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3 |
| InChIKey | GSQBIOQCECCMOQ-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 | KH2jx3SXV5x |
|---|---|
| Name | beta-Alanine ethyl 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/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3 |
| InChIKey | GSQBIOQCECCMOQ-UHFFFAOYSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | C(N)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94672 |