| SpectraBase Compound ID | BkRi7611Gz6 |
|---|---|
| InChI | InChI=1S/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3 |
| InChIKey | PQHYYXVASCGPFJ-UHFFFAOYSA-N |
| Mol Weight | 217.26 g/mol |
| Molecular Formula | C10H19NO4 |
| Exact Mass | 217.131408 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ZEuDqWJcMf |
|---|---|
| Name | L-Aspartic acid, N,N-diethyl-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.131408092 u |
| Formula | C10H19NO4 |
| InChI | InChI=1S/C10H19NO4/c1-5-11(6-2)8(10(13)15-4)7-9(12)14-3/h8H,5-7H2,1-4H3 |
| InChIKey | PQHYYXVASCGPFJ-UHFFFAOYSA-N |
| Molecular Weight | 217.265 g/mol |
| SMILES | COC(=O)CC(N(CC)CC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972793 |