| SpectraBase Compound ID | CJ8DZjc5hDi |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-5-7-9-11-13-15-17-24-19(22)20(3,4)18(21)23-16-14-12-10-8-6-2/h5-17H2,1-4H3 |
| InChIKey | CMTUYYPWBPYIIR-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SXxqZ9GewW |
|---|---|
| Name | Dimethylmalonic acid, heptyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-5-7-9-11-13-15-17-24-19(22)20(3,4)18(21)23-16-14-12-10-8-6-2/h5-17H2,1-4H3 |
| InChIKey | CMTUYYPWBPYIIR-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | CCCCCCCOC(C(C(=O)OCCCCCCCC)(C)C)=O |