| SpectraBase Compound ID | CchBymemY7D |
|---|---|
| InChI | InChI=1S/C29H57NO7Si5/c1-38(2,3)31-21-25-26(35-40(7,8)9)27(36-41(10,11)12)28(37-42(13,14)15)29(33-25)32-24(20-30)22-16-18-23(19-17-22)34-39(4,5)6/h16-19,24-29H,21H2,1-15H3/t24?,25-,26-,27+,28-,29-/m1/s1 |
| InChIKey | GNQQUHXTDYPZPY-IGCXXYHKSA-N |
| Mol Weight | 672.2 g/mol |
| Molecular Formula | C29H57NO7Si5 |
| Exact Mass | 671.298136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kfwg2uEK3PD |
|---|---|
| Name | Benzeneacetonitrile, .alpha.-(.beta.-D-glucopyranosyloxy)-4-hydroxy-, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 671.298135847 u |
| Formula | C29H57NO7Si5 |
| InChI | InChI=1S/C29H57NO7Si5/c1-38(2,3)31-21-25-26(35-40(7,8)9)27(36-41(10,11)12)28(37-42(13,14)15)29(33-25)32-24(20-30)22-16-18-23(19-17-22)34-39(4,5)6/h16-19,24-29H,21H2,1-15H3/t24?,25-,26-,27+,28-,29-/m1/s1 |
| InChIKey | GNQQUHXTDYPZPY-IGCXXYHKSA-N |
| SMILES | C1(=CC=C(C=C1)O[Si](C)(C)C)C(C#N)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H] |