| SpectraBase Compound ID | 611eLp4DWnl |
|---|---|
| InChI | InChI=1S/C19H28O6/c1-12(21)25-14-10-13(16-23-8-9-24-16)19(22,11-20)18(4)7-5-6-17(2,3)15(14)18/h10-11,14-16,22H,5-9H2,1-4H3 |
| InChIKey | RLEVHDCNNSDXHJ-UHFFFAOYSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C19H28O6 |
| Exact Mass | 352.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2U9TIUxPjat |
|---|---|
| Name | Cinnamodial 12-ethylene acetal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.188588616 u |
| Formula | C19H28O6 |
| InChI | InChI=1S/C19H28O6/c1-12(21)25-14-10-13(16-23-8-9-24-16)19(22,11-20)18(4)7-5-6-17(2,3)15(14)18/h10-11,14-16,22H,5-9H2,1-4H3 |
| InChIKey | RLEVHDCNNSDXHJ-UHFFFAOYSA-N |
| Molecular Weight | 352.427 g/mol |
| SMILES | C=1(C(C2(CCCC(C2C(C1)OC(=O)C)(C)C)C)(C=O)O)C1OCCO1 |