| SpectraBase Compound ID | EfODbRTFBAd |
|---|---|
| InChI | InChI=1S/C21H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-19(22)18-23-21(2,3)24-20/h20H,4-18H2,1-3H3/t20-/m1/s1 |
| InChIKey | KFFDNQQMQAUFDK-HXUWFJFHSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C21H40O3 |
| Exact Mass | 340.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C78fqqe29dW |
|---|---|
| Name | (4R)-2,2-Dimethyl-4-pentadecyl-1,3-dioxane-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.297745145 u |
| Formula | C21H40O3 |
| InChI | InChI=1S/C21H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-19(22)18-23-21(2,3)24-20/h20H,4-18H2,1-3H3/t20-/m1/s1 |
| InChIKey | KFFDNQQMQAUFDK-HXUWFJFHSA-N |
| Molecular Weight | 340.548 g/mol |
| SMILES | C1(O[C@@](C(CO1)=O)(CCCCCCCCCCCCCCC)[H])(C)C |