| SpectraBase Compound ID | Io5whoflj2q |
|---|---|
| InChI | InChI=1S/C27H40O4Si/c1-19(2)24-22(29-23(28)16-15-21-13-9-8-10-14-21)18-20(3)12-11-17-27(4)26(30-27)25(24)31-32(5,6)7/h8-10,12-16,19,22,24-26H,11,17-18H2,1-7H3/b16-15+,20-12+/t22-,24-,25-,26+,27+/m1/s1 |
| InChIKey | KXBAXPUAKJFUDQ-JFHRRYQTSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C27H40O4Si |
| Exact Mass | 456.269586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOjj7aMcJZG |
|---|---|
| Name | Cinnamoylechinadiol, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.269586299 u |
| Formula | C27H40O4Si |
| InChI | InChI=1S/C27H40O4Si/c1-19(2)24-22(29-23(28)16-15-21-13-9-8-10-14-21)18-20(3)12-11-17-27(4)26(30-27)25(24)31-32(5,6)7/h8-10,12-16,19,22,24-26H,11,17-18H2,1-7H3/b16-15+,20-12+/t22-,24-,25-,26+,27+/m1/s1 |
| InChIKey | KXBAXPUAKJFUDQ-JFHRRYQTSA-N |
| Molecular Weight | 456.698 g/mol |
| SMILES | C1C[C@@]2(C)[C@]([C@@]([C@@]([C@@](C\C(=C\1)C)(OC(\C=C\C1=CC=CC=C1)=O)[H])(C(C)C)[H])(O[Si](C)(C)C)[H])(O2)[H] |