| SpectraBase Compound ID | 4L7oIlkUJon |
|---|---|
| InChI | InChI=1S/C28H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h8-9,11-12,14-15,17-18,20-21,23-24H,7,10,13,16,19,22,25-26H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23- |
| InChIKey | CIORSZPTYHCMFP-MMRRFZAGSA-N |
| Mol Weight | 442.8 g/mol |
| Molecular Formula | C28H46O2Si |
| Exact Mass | 442.326707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2x7xrUrhmIe |
|---|---|
| Name | Doconexent, tbdms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.326707254 u |
| Formula | C28H46O2Si |
| InChI | InChI=1S/C28H46O2Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)30-31(5,6)28(2,3)4/h8-9,11-12,14-15,17-18,20-21,23-24H,7,10,13,16,19,22,25-26H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23- |
| InChIKey | CIORSZPTYHCMFP-MMRRFZAGSA-N |
| Molecular Weight | 442.759 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)C)(C)C)=O |