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Glucitol 6TMS
SpectraBase Compound ID 2UEU5Ay1mys
InChI InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23-,24-/m1/s1
InChIKey USBJDBWAPKNPCK-UEQSERJNSA-N
Mol Weight 615.3 g/mol
Molecular Formula C24H62O6Si6
Exact Mass 614.316199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fd1YU5CdWy
Name sorbitol, 6TMS
Comments Derivatization type: 6 TMS (mass: 614.316); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001037; Note: The molecular formula of the structure shown is C6H14O6 - which differs from the formula reported for the mass spectrum (C24H62O6Si6)
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Formula C24H62O6Si6
InChI InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3/t21-,22+,23-,24-/m1/s1
InChIKey USBJDBWAPKNPCK-UEQSERJNSA-N
Molecular Weight 615.264 g/mol
SMILES C([C@]([C@]([C@@]([C@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0ktb-0931000000-4ffadb4b25e8e2510d93
Source of Spectrum FM-2019-1037-0
Synonyms D-Sorbitol, 6TMS D-Glucitol, 6TMS Glucitol, 6TMS Sorbicolan, 6TMS Sorbilande, 6TMS (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, 6TMS (5R,6R,7R,8S)-2,2,11,11-tetramethyl-5,6,7,8-tetrakis((trimethylsilyl)oxy)-3,10-dioxa-2,11-disiladodecane
Wiley ID 1818696