| SpectraBase Compound ID | 3hHNaVGxCCI |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-24-19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)17-20(23)25-2/h3-17H2,1-2H3 |
| InChIKey | MZXRBOONFWXORS-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C20H36O5 |
| Exact Mass | 356.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQWqOtAcMqL |
|---|---|
| Name | Dimethyl 3-oxooctadecanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.256274254 u |
| Formula | C20H36O5 |
| InChI | InChI=1S/C20H36O5/c1-24-19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)17-20(23)25-2/h3-17H2,1-2H3 |
| InChIKey | MZXRBOONFWXORS-UHFFFAOYSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCCCCCCCCCCCCCC(=O)OC |