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3,6-anhydro-D-galactose, 3TMS, 1MEOX
SpectraBase Compound ID HzyNPVMpz3y
InChI InChI=1S/C16H37NO5Si3/c1-18-17-11-13(20-23(2,3)4)15-16(22-25(8,9)10)14(12-19-15)21-24(5,6)7/h11,13-16H,12H2,1-10H3/b17-11+/t13-,14-,15-,16+/m1/s1
InChIKey HCPGSZUXUCPPOB-IDCGWCEFSA-N
Mol Weight 407.7 g/mol
Molecular Formula C16H37NO5Si3
Exact Mass 407.197953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SRA9rOmMJD
Name 3,6-anhydro-D-galactose, 3TMS, 1MEOX
Comments Derivatization type: 3 TMS (mass: 407.198); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000643; Note: The molecular formula of the structure shown is C6H10O5 - which differs from the formula reported for the mass spectrum (C16H37NO5Si3)
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Formula C16H37NO5Si3
InChI InChI=1S/C16H37NO5Si3/c1-18-17-11-13(20-23(2,3)4)15-16(22-25(8,9)10)14(12-19-15)21-24(5,6)7/h11,13-16H,12H2,1-10H3/b17-11+/t13-,14-,15-,16+/m1/s1
InChIKey HCPGSZUXUCPPOB-IDCGWCEFSA-N
Molecular Weight 407.729 g/mol
SMILES [C@](\C=N\OC)([C@@]1([C@]([C@@](CO1)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H]
SPLASH splash10-0f9t-1920000000-04e77cb726430f22b09f
Source of Spectrum FM-2019-643-0
Synonyms 3,6-Anhydro-D-galactose, 3TMS, 1MEOX 3,6-Anhydrogalactopyranose, 3TMS, 1MEOX C06474, 3TMS, 1MEOX 14122-18-0, 3TMS, 1MEOX (2S)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetaldehyde, 3TMS, 1MEOX (R,E)-2-((2S,3R,4R)-3,4-bis((trimethylsilyl)oxy)tetrahydrofuran-2-yl)-2-((trimethylsilyl)oxy)acetaldehyde O-methyl oxime
Wiley ID 1818321