| SpectraBase Compound ID | 678fZChaGEN |
|---|---|
| InChI | InChI=1S/C8H15NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h6,9H,4-5H2,1-3H3 |
| InChIKey | KGQHBVKQSPWWRF-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C8H15NO4 |
| Exact Mass | 189.100108 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6AqT2q07SXB |
|---|---|
| Name | L-Aspartic acid, N-ethyl-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.100107963 u |
| Formula | C8H15NO4 |
| InChI | InChI=1S/C8H15NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h6,9H,4-5H2,1-3H3 |
| InChIKey | KGQHBVKQSPWWRF-UHFFFAOYSA-N |
| Molecular Weight | 189.211 g/mol |
| SMILES | COC(=O)CC(NCC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95345 |