| SpectraBase Compound ID | BymVxsUOwgy |
|---|---|
| InChI | InChI=1S/C39H94O12Si9/c1-52(2,3)41-28-30-33(46-55(10,11)12)35(48-57(16,17)18)37(50-59(22,23)24)39(43-30)44-32(31(45-54(7,8)9)29-42-53(4,5)6)34(47-56(13,14)15)36(49-58(19,20)21)38(40)51-60(25,26)27/h30-37,39H,28-29H2,1-27H3/t30-,31-,32-,33+,34+,35+,36-,37-,39+/m1/s1 |
| InChIKey | MEJKRFWQJTYEJR-KOIYBYFSSA-N |
| Mol Weight | 1007.9 g/mol |
| Molecular Formula | C39H94O12Si9 |
| Exact Mass | 1006.466867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Cbw6zySX9p6 |
|---|---|
| Name | Lactobionic acid, 9tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1006.466867270 u |
| Formula | C39H94O12Si9 |
| InChI | InChI=1S/C39H94O12Si9/c1-52(2,3)41-28-30-33(46-55(10,11)12)35(48-57(16,17)18)37(50-59(22,23)24)39(43-30)44-32(31(45-54(7,8)9)29-42-53(4,5)6)34(47-56(13,14)15)36(49-58(19,20)21)38(40)51-60(25,26)27/h30-37,39H,28-29H2,1-27H3/t30-,31-,32-,33+,34+,35+,36-,37-,39+/m1/s1 |
| InChIKey | MEJKRFWQJTYEJR-KOIYBYFSSA-N |
| Molecular Weight | 1007.934 g/mol |
| SMILES | C([C@]([C@]([C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[C@]1([C@@]([C@]([C@]([C@@](CO[Si](C)(C)C)(O1)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C |