| SpectraBase Compound ID | 7rZRJUBREuP |
|---|---|
| InChI | InChI=1S/C7H12N2O4/c1-4(7(12)13)9-6(11)3-8-5(2)10/h4H,3H2,1-2H3,(H,8,10)(H,9,11)(H,12,13) |
| InChIKey | SCVZUBLUQMMQED-UHFFFAOYSA-N |
| Mol Weight | 188.18 g/mol |
| Molecular Formula | C7H12N2O4 |
| Exact Mass | 188.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1W7FLt68dPn |
|---|---|
| Name | 2-(2-Acetamidoethanoylamino)propanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.079706870 u |
| Formula | C7H12N2O4 |
| InChI | InChI=1S/C7H12N2O4/c1-4(7(12)13)9-6(11)3-8-5(2)10/h4H,3H2,1-2H3,(H,8,10)(H,9,11)(H,12,13) |
| InChIKey | SCVZUBLUQMMQED-UHFFFAOYSA-N |
| SMILES | C(C(NC(=O)CNC(=O)C)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959552 |