| SpectraBase Compound ID | 4H5fJRin43 |
|---|---|
| InChI | InChI=1S/C13H18N2O4/c1-3-18-11(16)5-7-13(9-14,10-15)8-6-12(17)19-4-2/h3-8H2,1-2H3 |
| InChIKey | AIFUOUBBQRDBED-UHFFFAOYSA-N |
| Mol Weight | 266.3 g/mol |
| Molecular Formula | C13H18N2O4 |
| Exact Mass | 266.126657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtxPgXUCoUd |
|---|---|
| Name | 1,7-Diethyl 4,4-dicyanoheptanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.126657064 u |
| Formula | C13H18N2O4 |
| InChI | InChI=1S/C13H18N2O4/c1-3-18-11(16)5-7-13(9-14,10-15)8-6-12(17)19-4-2/h3-8H2,1-2H3 |
| InChIKey | AIFUOUBBQRDBED-UHFFFAOYSA-N |
| Molecular Weight | 266.297 g/mol |
| SMILES | C(CCC(OCC)=O)(CCC(OCC)=O)(C#N)C#N |