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Gluconic acid lactone, 4TMS
SpectraBase Compound ID KHktckMw5G5
InChI InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3
InChIKey VNGTZLYNGGLPIZ-UHFFFAOYSA-N
Mol Weight 466.9 g/mol
Molecular Formula C18H42O6Si4
Exact Mass 466.205845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7F1oKSyPSt0
Name Gluconic acid lactone, 4TMS
Comments Derivatization type: 4 TMS (mass: 466.206); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000528; Note: The molecular formula of the structure shown is C6H10O6 - which differs from the formula reported for the mass spectrum (C18H42O6Si4)
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Formula C18H42O6Si4
InChI InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3
InChIKey VNGTZLYNGGLPIZ-UHFFFAOYSA-N
Molecular Weight 466.868 g/mol
SMILES C(C1C(C(C(C(=O)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0v0s-0930000000-40918ddb960b42728d15
Source of Spectrum FM-2019-528-0
Synonyms Gluconolactone, 4TMS Gluconic lactone, 4TMS D-Gluconolactone, 4TMS Glucono-delta-lactone, 4TMS .delta.-Gluconolactone, 4TMS 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-one, 4TMS 3,4,5-Tris((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2H-pyran-2-one
Wiley ID 1818212