| SpectraBase Compound ID | 9MjqFvSfZS6 |
|---|---|
| InChI | InChI=1S/C6H11NO4/c1-7-4(6(9)10)3-5(8)11-2/h4,7H,3H2,1-2H3,(H,9,10) |
| InChIKey | BNXGGDPUVJSMJV-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C6H11NO4 |
| Exact Mass | 161.068808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8NwNz8lLmjf |
|---|---|
| Name | dl-N-Methylaspartic acid, 4-methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.068807834 u |
| Formula | C6H11NO4 |
| InChI | InChI=1S/C6H11NO4/c1-7-4(6(9)10)3-5(8)11-2/h4,7H,3H2,1-2H3,(H,9,10) |
| InChIKey | BNXGGDPUVJSMJV-UHFFFAOYSA-N |
| SMILES | N(C(C(O)=O)CC(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.972408 |