| SpectraBase Compound ID | ASBAyoE8r91 |
|---|---|
| InChI | InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12) |
| InChIKey | IPWKGIFRRBGCJO-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C6H12N2O4 |
| Exact Mass | 176.079707 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kpzau6fyqTt |
|---|---|
| Name | N-(D,L-Alanyl)-D,L-serine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.079706870 u |
| Formula | C6H12N2O4 |
| InChI | InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12) |
| InChIKey | IPWKGIFRRBGCJO-UHFFFAOYSA-N |
| SMILES | N(C(C(O)=O)CO)C(C(N)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.978323 |