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D-Pinitol 5TMS
SpectraBase Compound ID CgwBfMM2k7G
InChI InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17-,18-,19+,20-,21-,22+/m1/s1
InChIKey IKOVCQNLJNHSBD-MCSHHISBSA-N
Mol Weight 555.1 g/mol
Molecular Formula C22H54O6Si5
Exact Mass 554.276672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wBOXhHjRw
Name (((1R,2R,3R,4R,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentayl)pentakis(oxy))pentakis(trimethylsilane)
Alternate Name(s) (((1R,2R,3RS,4R,5SR,6SR)-6-methoxycyclohexane-1,2,3,4,5-pentayl)pentakis(oxy))pentakis(trimethylsilane)
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Formula C22H54O6Si5
InChI InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17-,18-,19+,20-,21-,22+/m1/s1
InChIKey IKOVCQNLJNHSBD-MCSHHISBSA-N
Literature Reference DOI 10.1016/j.chroma.2017.01.001
Molecular Weight 555.093 g/mol
SMILES [C@]1(O[Si](C)(C)C)([C@](OC)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-00di-7896200000-b8a7e5dfc8f2cb9321fd
Source of Spectrum L.Ruiz-Aceituno, et al. Journal of Chromatography A, 1484, 58-64
Wiley ID 1816270