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Xylitol 5TMS
SpectraBase Compound ID D1KKBWOJmNT
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+,20?
InChIKey SUZLPERYXSOGNY-YOFSQIOKSA-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 G4mTSZ6Brxo
Name xylitol, 5TMS
Comments Derivatization type: 5 TMS (mass: 512.266); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001044; 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+,20?
InChIKey SUZLPERYXSOGNY-YOFSQIOKSA-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-0941000000-1842afabd092c907a920
Source of Spectrum FM-2019-1044-0
Synonyms adonitol, 5TMS Xylite, 5TMS ribitol, 5TMS Pentitol, 5TMS Adonite, 5TMS (2R,4S)-pentane-1,2,3,4,5-pentol, 5TMS (5R,7S)-2,2,10,10-tetramethyl-5,6,7-tris((trimethylsilyl)oxy)-3,9-dioxa-2,10-disilaundecane
Wiley ID 1818703