| SpectraBase Compound ID | 1EYtAQyYo4i |
|---|---|
| InChI | InChI=1S/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| InChIKey | CWAYDJFPMMUKOI-YFKPBYRVSA-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 | KB0zETfbzNu |
|---|---|
| Name | (2S)-2-Amino-2-methyl-butanedioic acid |
| 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/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 |
| InChIKey | CWAYDJFPMMUKOI-YFKPBYRVSA-N |
| Molecular Weight | 147.130 g/mol |
| SMILES | C([C@@](CC(=O)O)(C)N)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981934 |