| SpectraBase Compound ID | L4UPISZiLi |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | LYLDBNFUPQGLCE-UHFFFAOYSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfvCqYquKaN |
|---|---|
| Name | Methyl dihydromalvalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21-2/h17-18H,3-16H2,1-2H3 |
| InChIKey | LYLDBNFUPQGLCE-UHFFFAOYSA-N |
| SMILES | C1C(CCCCCCC(=O)OC)C1CCCCCCCC |