| SpectraBase Compound ID | JL0AcJqcyng |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-3-5-8-14-18-16-19(17-12-10-7-11-13-17)22-20(21-18)15-9-6-4-2/h7,10-13,18-20H,3-6,8-9,14-16H2,1-2H3 |
| InChIKey | IAEFOBNWWWOPFC-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPS38PbUWaN |
|---|---|
| Name | 2,C-6-Dipentyl-C-4-phenyl-1,3-dioxane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-3-5-8-14-18-16-19(17-12-10-7-11-13-17)22-20(21-18)15-9-6-4-2/h7,10-13,18-20H,3-6,8-9,14-16H2,1-2H3 |
| InChIKey | IAEFOBNWWWOPFC-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C1(OC(OC(C1)CCCCC)CCCCC)C1=CC=CC=C1 |