| SpectraBase Compound ID | DU06QioMoZm |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-8-5(7(10)12-3)4-6(9)11-2/h5,8H,4H2,1-3H3 |
| InChIKey | IFORLBQCBMTFDG-UHFFFAOYSA-N |
| Mol Weight | 175.18 g/mol |
| Molecular Formula | C7H13NO4 |
| Exact Mass | 175.084458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JLWkJ9kLVcd |
|---|---|
| Name | L-Aspartic acid, N-methyl-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.084457899 u |
| Formula | C7H13NO4 |
| InChI | InChI=1S/C7H13NO4/c1-8-5(7(10)12-3)4-6(9)11-2/h5,8H,4H2,1-3H3 |
| InChIKey | IFORLBQCBMTFDG-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | C(=O)(OC)CC(NC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955525 |