| SpectraBase Compound ID | X680Zer8wt |
|---|---|
| InChI | InChI=1S/C22H52O6Si4/c1-14-15-16-23-22-21(28-32(11,12)13)20(27-31(8,9)10)19(26-30(5,6)7)18(25-22)17-24-29(2,3)4/h18-22H,14-17H2,1-13H3/t18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | ROFXRSZDKHHNAI-AANPDWTMSA-N |
| Mol Weight | 525.0 g/mol |
| Molecular Formula | C22H52O6Si4 |
| Exact Mass | 524.284096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CHkiyCr7KEj |
|---|---|
| Name | Butyl mannoside, 4tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 524.284095528 u |
| Formula | C22H52O6Si4 |
| InChI | InChI=1S/C22H52O6Si4/c1-14-15-16-23-22-21(28-32(11,12)13)20(27-31(8,9)10)19(26-30(5,6)7)18(25-22)17-24-29(2,3)4/h18-22H,14-17H2,1-13H3/t18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | ROFXRSZDKHHNAI-AANPDWTMSA-N |
| Molecular Weight | 524.992 g/mol |
| SMILES | [C@@]1(OCCCC)(O[C@@]([C@]([C@@]([C@@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H] |