| SpectraBase Compound ID | 9jWnNb7UzsZ |
|---|---|
| InChI | InChI=1S/C25H36O2Si/c1-5-6-9-15-22(26)16-14-21-27-28(25(2,3)4,23-17-10-7-11-18-23)24-19-12-8-13-20-24/h7-8,10-14,16-20,22,26H,5-6,9,15,21H2,1-4H3/b16-14+ |
| InChIKey | AILPCBMQQWWKGC-JQIJEIRASA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C25H36O2Si |
| Exact Mass | 396.248457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gb8OBxTRPXh |
|---|---|
| Name | Racemic (2E)-1-o-((tert-butyldiphenylsilyl)oxy)-oct-2-ene-1,4-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.248456932 u |
| Formula | C25H36O2Si |
| InChI | InChI=1S/C25H36O2Si/c1-5-6-9-15-22(26)16-14-21-27-28(25(2,3)4,23-17-10-7-11-18-23)24-19-12-8-13-20-24/h7-8,10-14,16-20,22,26H,5-6,9,15,21H2,1-4H3/b16-14+ |
| InChIKey | AILPCBMQQWWKGC-JQIJEIRASA-N |
| Molecular Weight | 396.646 g/mol |
| SMILES | C([Si](C1=CC=CC=C1)(C=1C=CC=CC1)OC\C=C\C(O)CCCCC)(C)(C)C |