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Arabitol 5TMS
SpectraBase Compound ID JEE299X7x2N
InChI InChI=1S/C20H52O5Si5/c1-26(2,3)21-16-18(23-28(7,8)9)20(25-30(13,14)15)19(24-29(10,11)12)17-22-27(4,5)6/h18-20H,16-17H2,1-15H3/t18-,19-/m1/s1
InChIKey SUZLPERYXSOGNY-RTBURBONSA-N
Mol Weight 513.1 g/mol
Molecular Formula C20H52O5Si5
Exact Mass 512.266107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BII5fTOjfZz
Name arabitol, 5TMS
Comments Derivatization type: 5 TMS (mass: 512.266); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000560; Note: The molecular formula of the structure shown is C5H12O5 - which differs from the formula reported for the mass spectrum (C20H52O5Si5)
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Formula C20H52O5Si5
InChI InChI=1S/C20H52O5Si5/c1-26(2,3)21-16-18(23-28(7,8)9)20(25-30(13,14)15)19(24-29(10,11)12)17-22-27(4,5)6/h18-20H,16-17H2,1-15H3/t18-,19-/m1/s1
InChIKey SUZLPERYXSOGNY-RTBURBONSA-N
Molecular Weight 513.056 g/mol
SMILES C([C@](C([C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[H])O[Si](C)(C)C)(O[Si](C)(C)C)[H])O[Si](C)(C)C
SPLASH splash10-0gba-0941000000-9b75ceaa8f86d2a15e6c
Source of Spectrum FM-2019-560-0
Synonyms arabitolD-Arabinitol, 5TMS arabinitol, 5TMS D-Arabitol, 5TMS D-Arabinol, 5TMS D-(+)-Arabitol, 5TMS (2R,4R)-pentane-1,2,3,4,5-pentol, 5TMS (5R,7R)-2,2,10,10-tetramethyl-5,6,7-tris((trimethylsilyl)oxy)-3,9-dioxa-2,10-disilaundecane
Wiley ID 1818241