| SpectraBase Spectrum ID |
ALmlJ7U4Ib5 |
| Name |
dl-2-Acetamido-2-methylsuccinic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.063722453 u |
| Formula |
C7H11NO5 |
| InChI |
InChI=1S/C7H11NO5/c1-4(9)8-7(2,6(12)13)3-5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey |
IDICQMCJJAQYCN-UHFFFAOYSA-N |
| Molecular Weight |
189.167 g/mol |
| SMILES |
C(C(CC(O)=O)(NC(C)=O)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989391 |
