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(3R,5R)-Methyl 3,5-bis[(t-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazolyl)thiocarbonyloxy]cyclohexane-1-carboxylate

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(3R,5R)-Methyl 3,5-bis[(t-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazolyl)thiocarbonyloxy]cyclohexane-1-carboxylate
SpectraBase Compound ID 8fm0wGbgHWb
InChI InChI=1S/C24H44N2O6SSi2/c1-22(2,3)34(8,9)31-17-14-24(28,20(27)29-7)15-18(32-35(10,11)23(4,5)6)19(17)30-21(33)26-13-12-25-16-26/h12-13,16-19,28H,14-15H2,1-11H3/t17-,18-,19-,24+/m1/s1
InChIKey HCJCJYKQMGUNRM-PLOUGOBLSA-N
Mol Weight 544.9 g/mol
Molecular Formula C24H44N2O6SSi2
Exact Mass 544.245861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GgSPIzXygQ
Name (3R,5R)-Methyl 3,5-bis[(T-butyldimethylsilyl)oxy]-1-hydroxy-4-[(imidazolyl)thiocarbonyloxy]cyclohexane-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.245861383 u
Formula C24H44N2O6SSi2
InChI InChI=1S/C24H44N2O6SSi2/c1-22(2,3)34(8,9)31-17-14-24(28,20(27)29-7)15-18(32-35(10,11)23(4,5)6)19(17)30-21(33)26-13-12-25-16-26/h12-13,16-19,28H,14-15H2,1-11H3/t17-,18-,19-,24+/m1/s1
InChIKey HCJCJYKQMGUNRM-PLOUGOBLSA-N
Molecular Weight 544.854 g/mol
SMILES C(N1C=NC=C1)(O[C@]1([C@@](C[C@@](C[C@]1(O[Si](C(C)(C)C)(C)C)[H])(C(=O)OC)O)(O[Si](C(C)(C)C)(C)C)[H])[H])=S