| SpectraBase Compound ID | 2WPCOy18g2Z |
|---|---|
| InChI | InChI=1S/C25H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey | WKGLYXNPWPPKPA-WSDBEMKQSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C25H40O2Si |
| Exact Mass | 400.279757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9V0lZELGNer |
|---|---|
| Name | Doconexent, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.279757061 u |
| Formula | C25H40O2Si |
| InChI | InChI=1S/C25H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey | WKGLYXNPWPPKPA-WSDBEMKQSA-N |
| Molecular Weight | 400.678 g/mol |
| SMILES | CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O[Si](C)(C)C)=O |