| SpectraBase Compound ID | 1dsp5d0gn39 |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-3-29-25(27)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(28)30-4-2/h3-24H2,1-2H3 |
| InChIKey | CRDQHLZIECEKFV-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Krs1FVYv5wi |
|---|---|
| Name | Diethyl docosanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-3-29-25(27)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26(28)30-4-2/h3-24H2,1-2H3 |
| InChIKey | CRDQHLZIECEKFV-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC(=O)OCC)(=O)OCC |