| SpectraBase Compound ID | 9pp7B6AaX4X |
|---|---|
| InChI | InChI=1S/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3 |
| InChIKey | DAKKWKYIQGMKOS-UHFFFAOYSA-N |
| Mol Weight | 205.17 g/mol |
| Molecular Formula | C7H11NO6 |
| Exact Mass | 205.058637 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C9CPmHeVe5 |
|---|---|
| Name | Diethyl nitromalonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.058637072 u |
| Formula | C7H11NO6 |
| InChI | InChI=1S/C7H11NO6/c1-3-13-6(9)5(8(11)12)7(10)14-4-2/h5H,3-4H2,1-2H3 |
| InChIKey | DAKKWKYIQGMKOS-UHFFFAOYSA-N |
| Molecular Weight | 205.166 g/mol |
| SMILES | C(C(C(OCC)=O)N(=O)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990423 |