| SpectraBase Compound ID | Fqy4TZKUYB7 |
|---|---|
| InChI | InChI=1S/C20H36O5/c1-24-19(22)16-12-8-4-3-6-10-14-18(21)15-11-7-5-9-13-17-20(23)25-2/h3-17H2,1-2H3 |
| InChIKey | YIBUWROXNQTGBK-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 | ZVDfgiGrHD |
|---|---|
| Name | Dimethyl 9-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)16-12-8-4-3-6-10-14-18(21)15-11-7-5-9-13-17-20(23)25-2/h3-17H2,1-2H3 |
| InChIKey | YIBUWROXNQTGBK-UHFFFAOYSA-N |
| Molecular Weight | 356.503 g/mol |
| SMILES | C(CCCCCC(=O)CCCCCCCC(OC)=O)CCC(OC)=O |