| SpectraBase Compound ID | iLxDZGPJ2 |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h5,9H,4H2,1-3H3/b6-5- |
| InChIKey | RZVLGLRMWUCPPY-WAYWQWQTSA-N |
| Mol Weight | 187.19 g/mol |
| Molecular Formula | C8H13NO4 |
| Exact Mass | 187.084458 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BTrxpyknXb4 |
|---|---|
| Name | 2-Butenedioic acid, 2-(ethylamino)-, dimethyl ester, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.084457899 u |
| Formula | C8H13NO4 |
| InChI | InChI=1S/C8H13NO4/c1-4-9-6(8(11)13-3)5-7(10)12-2/h5,9H,4H2,1-3H3/b6-5- |
| InChIKey | RZVLGLRMWUCPPY-WAYWQWQTSA-N |
| SMILES | N(\C(C(OC)=O)=C/C(OC)=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.945168 |