| SpectraBase Compound ID | CASxwjB0Dyu |
|---|---|
| InChI | InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3 |
| InChIKey | XVIJMHJTEHBUJI-UHFFFAOYSA-N |
| Mol Weight | 131.17 g/mol |
| Molecular Formula | C6H13NO2 |
| Exact Mass | 131.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7xJ2W6aa9tq |
|---|---|
| Name | .beta.-Alanine, N-methyl-, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.094628661 u |
| Formula | C6H13NO2 |
| InChI | InChI=1S/C6H13NO2/c1-3-9-6(8)4-5-7-2/h7H,3-5H2,1-2H3 |
| InChIKey | XVIJMHJTEHBUJI-UHFFFAOYSA-N |
| Molecular Weight | 131.175 g/mol |
| SMILES | CNCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902546 |