| SpectraBase Compound ID | 25ANWtcM84q |
|---|---|
| InChI | InChI=1S/C28H36O2SSi/c1-4-5-8-17-27(29)28(31(30)24-20-18-23(2)19-21-24)22-32(3,25-13-9-6-10-14-25)26-15-11-7-12-16-26/h6-7,9-16,18-21,27-29H,4-5,8,17,22H2,1-3H3/t27-,28+,31?/m1/s1 |
| InChIKey | ZOTWANRTAVRBLK-HDYHSKNASA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C28H36O2SSi |
| Exact Mass | 464.220528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4R6Nm2LKTP3 |
|---|---|
| Name | (2R)-1-(Methyldiphenylsilyl)-2-[(R)-p-tolylsulfinyl)-3-octanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.220528106 u |
| Formula | C28H36O2SSi |
| InChI | InChI=1S/C28H36O2SSi/c1-4-5-8-17-27(29)28(31(30)24-20-18-23(2)19-21-24)22-32(3,25-13-9-6-10-14-25)26-15-11-7-12-16-26/h6-7,9-16,18-21,27-29H,4-5,8,17,22H2,1-3H3/t27-,28+,31?/m1/s1 |
| InChIKey | ZOTWANRTAVRBLK-HDYHSKNASA-N |
| Molecular Weight | 464.739 g/mol |
| SMILES | [C@@](S(C1=CC=C(C=C1)C)=O)(C[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C)([C@](O)(CCCCC)[H])[H] |