![[3-(Diethylamino)propyl]malonic acid, diethyl ester](/api/spectrum/86ADJjdvi2d/structure.png?h=300&w=458 "[3-(Diethylamino)propyl]malonic acid, diethyl ester")
| SpectraBase Compound ID | 289zB8AY4V4 |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-5-15(6-2)11-9-10-12(13(16)18-7-3)14(17)19-8-4/h12H,5-11H2,1-4H3 |
| InChIKey | BLYNLPYSPJSYHY-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 86ADJjdvi2d |
|---|---|
| Name | [3-(Diethylamino)propyl]malonic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.194008349 u |
| Formula | C14H27NO4 |
| InChI | InChI=1S/C14H27NO4/c1-5-15(6-2)11-9-10-12(13(16)18-7-3)14(17)19-8-4/h12H,5-11H2,1-4H3 |
| InChIKey | BLYNLPYSPJSYHY-UHFFFAOYSA-N |
| SMILES | CCOC(C(CCCN(CC)CC)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974783 |