| SpectraBase Compound ID | KTflBJ0AYAg |
|---|---|
| InChI | InChI=1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7) |
| InChIKey | HURZMSZDVGMYKJ-UHFFFAOYSA-N |
| Mol Weight | 131.13 g/mol |
| Molecular Formula | C5H9NO3 |
| Exact Mass | 131.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Dzx0QyvXgDy |
|---|---|
| Name | 4-Amino-4-keto-butyric acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.058243151 u |
| Formula | C5H9NO3 |
| InChI | InChI=1S/C5H9NO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H2,6,7) |
| InChIKey | HURZMSZDVGMYKJ-UHFFFAOYSA-N |
| Molecular Weight | 131.131 g/mol |
| SMILES | C(=O)(N)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985497 |