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Maltitol, nona-TMS
SpectraBase Compound ID 6UFMOxX8iqQ
InChI InChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3
InChIKey DTONBTAGJKRSDD-UHFFFAOYSA-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 E1I5LrQw0L7
Name maltitol, 9TMS
Comments Derivatization type: 9 TMS (mass: 992.488); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000299; Note: The molecular formula of the structure shown is C12H24O11 - which differs from the formula reported for the mass spectrum (C39H96O11Si9)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H96O11Si9
InChI InChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3
InChIKey DTONBTAGJKRSDD-UHFFFAOYSA-N
Molecular Weight 993.951 g/mol
SMILES C(C(C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)OC1C(C(C(C(CO[Si](C)(C)C)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0uxs-0941000000-211306c70bea30e50c47
Source of Spectrum FM-2019-299-0
Synonyms Cellobiitol, 9TMS Maltisorb, 9TMS Malbit, 9TMS Maltit, 9TMS Amalti Syrup, 9TMS 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol, 9TMS 2,2,11,11-tetramethyl-5,6,8-tris((trimethylsilyl)oxy)-7-((3,4,5-tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,10-dioxa-2,11-disiladodecane
Wiley ID 1817987