| SpectraBase Compound ID | GCGw1kNMCN2 |
|---|---|
| InChI | InChI=1S/C39H96O11Si9/c1-51(2,3)41-29-31-34(46-55(13,14)15)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)40-28-32(44-53(7,8)9)35(47-56(16,17)18)36(48-57(19,20)21)33(45-54(10,11)12)30-42-52(4,5)6/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39+/m1/s1 |
| InChIKey | MHRRBIHJBBEMLC-UWFQRQECSA-N |
| Mol Weight | 994.0 g/mol |
| Molecular Formula | C39H96O11Si9 |
| Exact Mass | 992.487603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2mP7ZcM8NGa |
|---|---|
| Name | Isomaltitol 9TMS I |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 992.487602715 u |
| Formula | C39H96O11Si9 |
| InChI | InChI=1S/C39H96O11Si9/c1-51(2,3)41-29-31-34(46-55(13,14)15)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)40-28-32(44-53(7,8)9)35(47-56(16,17)18)36(48-57(19,20)21)33(45-54(10,11)12)30-42-52(4,5)6/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39+/m1/s1 |
| InChIKey | MHRRBIHJBBEMLC-UWFQRQECSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 993.951 g/mol |
| Nominal Mass | 992 u |
| Quality | 990 |
| Retention Index | 6654 |
| SMILES | [C@@]1([C@]([C@](O[C@@]([C@]1(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])(OC[C@]([C@]([C@@]([C@@](O[Si](C)(C)C)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H] |
| SPLASH | splash10-044j-2679010000-8eb933f19da833d4eb10 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | GPS Nonakis-trimethylsilyl-\r6-O-alpha-D-glucopyranosyl-D-glucitol |
| Technique | GC/MS |
| Wiley ID | DD2024_014520 |