![[(Dimethylamino)methylene]malonic acid, dimethyl ester](/api/spectrum/6JEu8eiNzVW/structure.png?h=300&w=458 "[(Dimethylamino)methylene]malonic acid, dimethyl ester")
| SpectraBase Compound ID | FNM7wnHi40F |
|---|---|
| InChI | InChI=1S/C8H13NO4/c1-9(2)5-6(7(10)12-3)8(11)13-4/h5H,1-4H3 |
| InChIKey | XGBHOLSNBZBTQK-UHFFFAOYSA-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 | 6JEu8eiNzVW |
|---|---|
| Name | [(Dimethylamino)methylene]malonic acid, dimethyl ester |
| 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/c1-9(2)5-6(7(10)12-3)8(11)13-4/h5H,1-4H3 |
| InChIKey | XGBHOLSNBZBTQK-UHFFFAOYSA-N |
| Molecular Weight | 187.195 g/mol |
| SMILES | COC(C(C(OC)=O)=CN(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947109 |