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Isomaltitol 9TMS II
SpectraBase Compound ID Jh4gAW0v9yR
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-QVDJAAIXSA-N
Mol Weight 994.0 g/mol
Molecular Formula C39H96O11Si9
Exact Mass 992.487603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZnIAR8L14C
Name Isomaltitol 9TMS II
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-QVDJAAIXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 993.951 g/mol
Nominal Mass 992 u
Quality 1000
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-2789000000-8635197cbb2a7a562a4a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms GPM Nonakis-trimethylsilyl-1-O-alpha-D-glucopyranosyl-D-mannitol
Technique GC/MS
Wiley ID DD2024_014519