| SpectraBase Compound ID | 47shpdZvJTi |
|---|---|
| InChI | InChI=1S/C5H10N2O3/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H2,7,8) |
| InChIKey | XWBUDPXCXXQEOU-UHFFFAOYSA-N |
| Mol Weight | 146.15 g/mol |
| Molecular Formula | C5H10N2O3 |
| Exact Mass | 146.069142 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CHODlAiS1ls |
|---|---|
| Name | Aspartic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.069142187 u |
| Formula | C5H10N2O3 |
| InChI | InChI=1S/C5H10N2O3/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H2,7,8) |
| InChIKey | XWBUDPXCXXQEOU-UHFFFAOYSA-N |
| SMILES | C(C(C(OC)=O)N)C(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831565 |