| SpectraBase Compound ID | 2XqxuNKz3Ni |
|---|---|
| InChI | InChI=1S/C5H9NO4/c1-9-4(7)3-6-5(8)10-2/h3H2,1-2H3,(H,6,8) |
| InChIKey | SYMYZVXEVWVLQT-UHFFFAOYSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C5H9NO4 |
| Exact Mass | 147.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWKWKOp0b8R |
|---|---|
| Name | Glycine, N-(methoxycarbonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.053157770 u |
| Formula | C5H9NO4 |
| InChI | InChI=1S/C5H9NO4/c1-9-4(7)3-6-5(8)10-2/h3H2,1-2H3,(H,6,8) |
| InChIKey | SYMYZVXEVWVLQT-UHFFFAOYSA-N |
| Molecular Weight | 147.130 g/mol |
| SMILES | COC(=O)CNC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986194 |