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Methyl 6-deoxy-6-isothiocyanato-2,3,4-tri-o-trimethylsilyl-.alpha.-D-galactopyranoside

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Methyl 6-deoxy-6-isothiocyanato-2,3,4-tri-o-trimethylsilyl-.alpha.-D-galactopyranoside
SpectraBase Compound ID 5KCTk8jFIOj
InChI InChI=1S/C17H37NO5SSi3/c1-19-17-16(23-27(8,9)10)15(22-26(5,6)7)14(21-25(2,3)4)13(20-17)11-18-12-24/h13-17H,11H2,1-10H3/t13-,14+,15+,16-,17+/m1/s1
InChIKey PKTGJWQRSYTXEF-HMDCTGQHSA-N
Mol Weight 451.8 g/mol
Molecular Formula C17H37NO5SSi3
Exact Mass 451.170024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3DsLnD1Hub
Name Methyl 6-deoxy-6-isothiocyanato-2,3,4-tri-o-trimethylsilyl-.alpha.-D-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.170024069 u
Formula C17H37NO5SSi3
InChI InChI=1S/C17H37NO5SSi3/c1-19-17-16(23-27(8,9)10)15(22-26(5,6)7)14(21-25(2,3)4)13(20-17)11-18-12-24/h13-17H,11H2,1-10H3/t13-,14+,15+,16-,17+/m1/s1
InChIKey PKTGJWQRSYTXEF-HMDCTGQHSA-N
Molecular Weight 451.800 g/mol
SMILES [C@@]1([C@]([C@@](OC)(O[C@@]([C@@]1(O[Si](C)(C)C)[H])(CN=C=S)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]