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4-Pyridoxic acid, 3TMS
SpectraBase Compound ID DpIuDPR1CQM
InChI InChI=1S/C17H33NO4Si3/c1-13-16(21-24(5,6)7)15(17(19)22-25(8,9)10)14(11-18-13)12-20-23(2,3)4/h11H,12H2,1-10H3
InChIKey HSIPISKXEKPCKY-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C17H33NO4Si3
Exact Mass 399.171738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jgTEls9QhX
Name 4-Pyridoxic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 399.172); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000862; Note: The molecular formula of the structure shown is C8H9NO4 - which differs from the formula reported for the mass spectrum (C17H33NO4Si3)
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Formula C17H33NO4Si3
InChI InChI=1S/C17H33NO4Si3/c1-13-16(21-24(5,6)7)15(17(19)22-25(8,9)10)14(11-18-13)12-20-23(2,3)4/h11H,12H2,1-10H3
InChIKey HSIPISKXEKPCKY-UHFFFAOYSA-N
Molecular Weight 399.709 g/mol
SMILES Cc1c(c(c(cn1)CO[Si](C)(C)C)C(O[Si](C)(C)C)=O)O[Si](C)(C)C
SPLASH splash10-0002-0962000000-a05cde3ca010ce93dcb8
Source of Spectrum FM-2019-862-0
Synonyms 4-Pyridoxic acid, 3TMS Pyridoxic acid, 3TMS 4-Pyridoxate, 3TMS 4-Pyridoxinic acid, 3TMS 4-Pyridoxylic acid, 3TMS 5-Pyridoxic acid, 3TMS 3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid, 3TMS Trimethylsilyl 2-methyl-3-((trimethylsilyl)oxy)-5-(((trimethylsilyl)oxy)methyl)isonicotinate
Wiley ID 1818531