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1,5-anydroglucitol, 4TMS
SpectraBase Compound ID 6CQPsb39kjt
InChI InChI=1S/C18H44O5Si4/c1-24(2,3)20-14-15-17(22-26(7,8)9)18(23-27(10,11)12)16(13-19-15)21-25(4,5)6/h15-18H,13-14H2,1-12H3/t15-,16+,17-,18-/m1/s1
InChIKey BKZSHWBRUJTUIK-XMTFNYHQSA-N
Mol Weight 452.9 g/mol
Molecular Formula C18H44O5Si4
Exact Mass 452.226581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUmAlcm1cqg
Name 1,5-anydroglucitol, 4TMS
Alternate Name(s) Polygalytol, 4TMS 1,5-Anhydroglucitol, 4TMS 1,5-Anhydro-D-glucitol, 4TMS 1,5-Anhydro-D-sorbitol, 4TMS 1,5-ANHYDROSORBITOL, 4TMS D-Glucitol, 1,5-anhydro-, 4TMS (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol, 4TMS (((2R,3R,4R,5S)-2-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(trimethylsilane)
Comments Derivatization type: 4 TMS (mass: 452.227); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000497; Note: The molecular formula of the structure shown is C6H12O5 - which differs from the formula reported for the mass spectrum (C18H44O5Si4)
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Formula C18H44O5Si4
InChI InChI=1S/C18H44O5Si4/c1-24(2,3)20-14-15-17(22-26(7,8)9)18(23-27(10,11)12)16(13-19-15)21-25(4,5)6/h15-18H,13-14H2,1-12H3/t15-,16+,17-,18-/m1/s1
InChIKey BKZSHWBRUJTUIK-XMTFNYHQSA-N
Molecular Weight 452.885 g/mol
SMILES C([C@@]1([C@]([C@@]([C@](CO1)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-0gb9-0900000000-3b72b858c9bcc30c45b1
Source of Spectrum FM-2019-497-0
Wiley ID 1818181