| SpectraBase Compound ID | 8tuu1wagXA1 |
|---|---|
| InChI | InChI=1S/C20H40O11/c1-22-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20(21)23-2/h3-19H2,1-2H3 |
| InChIKey | AUDMKEBVSLGVMX-UHFFFAOYSA-N |
| Mol Weight | 456.5 g/mol |
| Molecular Formula | C20H40O11 |
| Exact Mass | 456.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90TwK7oj4fK |
|---|---|
| Name | Methyl 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-oate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.257062097 u |
| Formula | C20H40O11 |
| InChI | InChI=1S/C20H40O11/c1-22-3-4-24-5-6-25-7-8-26-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20(21)23-2/h3-19H2,1-2H3 |
| InChIKey | AUDMKEBVSLGVMX-UHFFFAOYSA-N |
| Molecular Weight | 456.529 g/mol |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCOCC(OC)=O |