| SpectraBase Compound ID | DxrUQ6x1h7G |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 |
| InChIKey | VKNUORWMCINMRB-UHFFFAOYSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JyeXDgLDEJO |
|---|---|
| Name | Diethyl malate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 |
| InChIKey | VKNUORWMCINMRB-UHFFFAOYSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | CCOC(CC(C(=O)OCC)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992744 |