| SpectraBase Compound ID | HrZvRGRLIbD |
|---|---|
| InChI | InChI=1S/C28H48O2Si2/c1-22(2)14-12-15-23(3)16-13-17-24(4)18-19-27-25(5)20-26(29-31(6,7)8)21-28(27)30-32(9,10)11/h14,16,18,20-21H,12-13,15,17,19H2,1-11H3/b23-16+,24-18+ |
| InChIKey | YQPGPPBKPKPQQZ-LRZMZADRSA-N |
| Mol Weight | 472.9 g/mol |
| Molecular Formula | C28H48O2Si2 |
| Exact Mass | 472.319284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NbElA8O123 |
|---|---|
| Name | Neogrifolin, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.319283854 u |
| Formula | C28H48O2Si2 |
| InChI | InChI=1S/C28H48O2Si2/c1-22(2)14-12-15-23(3)16-13-17-24(4)18-19-27-25(5)20-26(29-31(6,7)8)21-28(27)30-32(9,10)11/h14,16,18,20-21H,12-13,15,17,19H2,1-11H3/b23-16+,24-18+ |
| InChIKey | YQPGPPBKPKPQQZ-LRZMZADRSA-N |
| Molecular Weight | 472.860 g/mol |
| SMILES | C1(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C(C(=C1)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C |