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Inositol 6TMS
SpectraBase Compound ID DkEea1JNG4x
InChI InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3
InChIKey FRTKXRNTVMCAKI-UHFFFAOYSA-N
Mol Weight 613.2 g/mol
Molecular Formula C24H60O6Si6
Exact Mass 612.300549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HAqECJAv9z
Name myo-inositol, 6TMS
Comments Derivatization type: 6 TMS (mass: 612.301); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001093; Note: The molecular formula of the structure shown is C6H12O6 - which differs from the formula reported for the mass spectrum (C24H60O6Si6)
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Formula C24H60O6Si6
InChI InChI=1S/C24H60O6Si6/c1-31(2,3)25-19-20(26-32(4,5)6)22(28-34(10,11)12)24(30-36(16,17)18)23(29-35(13,14)15)21(19)27-33(7,8)9/h19-24H,1-18H3
InChIKey FRTKXRNTVMCAKI-UHFFFAOYSA-N
Molecular Weight 613.248 g/mol
SMILES C1(C(C(C(C(C1O[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 splash10-00kb-0932000000-b0f58187a6f9faeda55d
Source of Spectrum FM-2019-1093-0
Synonyms inositol, 6TMS meso-Inositol, 6TMS Muco-Inositol, 6TMS Scyllo-inositol, 6TMS Allo-inositol, 6TMS cyclohexane-1,2,3,4,5,6-hexol, 6TMS 1,2,3,4,5,6-hexakis((trimethylsilyl)oxy)cyclohexane
Wiley ID 1818751