| SpectraBase Compound ID | rZnf6D7JTC |
|---|---|
| InChI | InChI=1S/C31H64O7Si5/c1-23(2)25-19-18-24(21-32-39(3,4)5)20-26(25)34-31-30(38-43(15,16)17)29(37-42(12,13)14)28(36-41(9,10)11)27(35-31)22-33-40(6,7)8/h18-20,23,27-31H,21-22H2,1-17H3/t27-,28-,29+,30-,31-/m1/s1 |
| InChIKey | XJLBYPCNJOTQRK-PXPWAULYSA-N |
| Mol Weight | 689.3 g/mol |
| Molecular Formula | C31H64O7Si5 |
| Exact Mass | 688.349837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QYTBnsuuRg |
|---|---|
| Name | 5-(Hydroxymethyl)-2-(1-methylethyl)phenyl .beta.-D-glucopyranoside, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 688.349837069 u |
| Formula | C31H64O7Si5 |
| InChI | InChI=1S/C31H64O7Si5/c1-23(2)25-19-18-24(21-32-39(3,4)5)20-26(25)34-31-30(38-43(15,16)17)29(37-42(12,13)14)28(36-41(9,10)11)27(35-31)22-33-40(6,7)8/h18-20,23,27-31H,21-22H2,1-17H3/t27-,28-,29+,30-,31-/m1/s1 |
| InChIKey | XJLBYPCNJOTQRK-PXPWAULYSA-N |
| Molecular Weight | 689.271 g/mol |
| SMILES | C1=C(C(=CC=C1CO[Si](C)(C)C)C(C)C)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] |