| SpectraBase Compound ID | FKHuQQCPWhh |
|---|---|
| InChI | InChI=1S/C29H58O8Si5/c1-38(2,3)31-21-24-26(35-40(7,8)9)27(36-41(10,11)12)28(37-42(13,14)15)29(33-24)32-23-18-16-22(17-19-23)20-25(30)34-39(4,5)6/h16-19,24,26-29H,20-21H2,1-15H3/t24-,26-,27+,28-,29-/m1/s1 |
| InChIKey | OKKOXZWAWPOEOP-KRZJEZTLSA-N |
| Mol Weight | 675.2 g/mol |
| Molecular Formula | C29H58O8Si5 |
| Exact Mass | 674.297801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6ceKIMgLuY |
|---|---|
| Name | Benzeneacetic acid, 4-(.beta.-D-glucopyranosyloxy)-, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 674.297801495 u |
| Formula | C29H58O8Si5 |
| InChI | InChI=1S/C29H58O8Si5/c1-38(2,3)31-21-24-26(35-40(7,8)9)27(36-41(10,11)12)28(37-42(13,14)15)29(33-24)32-23-18-16-22(17-19-23)20-25(30)34-39(4,5)6/h16-19,24,26-29H,20-21H2,1-15H3/t24-,26-,27+,28-,29-/m1/s1 |
| InChIKey | OKKOXZWAWPOEOP-KRZJEZTLSA-N |
| SMILES | C1=C(C=CC(=C1)CC(O[Si](C)(C)C)=O)O[C@@]1(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] |