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Vanillic acid 4-.beta.-glucoside, penta-TMS

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Vanillic acid 4-.beta.-glucoside, penta-TMS
SpectraBase Compound ID 2DyvvmFdpmz
InChI InChI=1S/C29H58O9Si5/c1-31-23-19-21(28(30)38-43(14,15)16)17-18-22(23)33-29-27(37-42(11,12)13)26(36-41(8,9)10)25(35-40(5,6)7)24(34-29)20-32-39(2,3)4/h17-19,24-27,29H,20H2,1-16H3
InChIKey IHIFJMHWTSCIGK-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C29H58O9Si5
Exact Mass 690.292716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XfDzWqgnQC
Name 4-(Hexopyranosyloxy)-3-methoxybenzoic acid, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 690.292716114 u
Formula C29H58O9Si5
InChI InChI=1S/C29H58O9Si5/c1-31-23-19-21(28(30)38-43(14,15)16)17-18-22(23)33-29-27(37-42(11,12)13)26(36-41(8,9)10)25(35-40(5,6)7)24(34-29)20-32-39(2,3)4/h17-19,24-27,29H,20H2,1-16H3
InChIKey IHIFJMHWTSCIGK-UHFFFAOYSA-N
SMILES C(C1=CC(=C(C=C1)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O1)CO[Si](C)(C)C)OC)(=O)O[Si](C)(C)C