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D-(+)-talose, pentakis(trimethylsilyl) ether, pentafluorobenzyloxime (isomer 1)
SpectraBase Compound ID 3VLXlmEDTaL
InChI InChI=1S/C28H54F5NO6Si5/c1-41(2,3)36-18-21(38-43(7,8)9)28(40-45(13,14)15)27(39-44(10,11)12)20(37-42(4,5)6)16-34-35-17-19-22(29)24(31)26(33)25(32)23(19)30/h16,20-21,27-28H,17-18H2,1-15H3/b34-16+
InChIKey PEQTVLDQZGRKRW-AABVJFSESA-N
Mol Weight 736.2 g/mol
Molecular Formula C28H54F5NO6Si5
Exact Mass 735.271762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AO1UPKXhFKo
Name D-(+)-talose, pentakis(trimethylsilyl) ether, pentafluorobenzyloxime (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 735.271761947 u
Formula C28H54F5NO6Si5
InChI InChI=1S/C28H54F5NO6Si5/c1-41(2,3)36-18-21(38-43(7,8)9)28(40-45(13,14)15)27(39-44(10,11)12)20(37-42(4,5)6)16-34-35-17-19-22(29)24(31)26(33)25(32)23(19)30/h16,20-21,27-28H,17-18H2,1-15H3/b34-16+
InChIKey PEQTVLDQZGRKRW-AABVJFSESA-N
Molecular Weight 736.158 g/mol
SMILES C(\C=N\OCC1=C(C(=C(C(=C1F)F)F)F)F)(C(O[Si](C)(C)C)C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C