| SpectraBase Compound ID | 4r0lXAvpIOL |
|---|---|
| InChI | InChI=1S/C7H13NO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3 |
| InChIKey | WLTCKEHCTUYJGI-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 | 5TjQy9HXwHz |
|---|---|
| Name | Propanedioic acid, amino-, diethyl 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/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3 |
| InChIKey | WLTCKEHCTUYJGI-UHFFFAOYSA-N |
| Molecular Weight | 175.184 g/mol |
| SMILES | CCOC(C(C(OCC)=O)N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993273 |