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(-)-(1R,2R,4S,6R)-1,2-cyclohexylidenedioxy-4-(tert-butyldiphenylsilyl)-6-(4'-methylphenylsulfonyloxy)cyclohexane
SpectraBase Compound ID KHlOdPGUCf3
InChI InChI=1S/C35H44O6SSi/c1-26-18-20-28(21-19-26)42(36,37)40-32-25-27(24-31-33(32)39-35(38-31)22-12-7-13-23-35)41-43(34(2,3)4,29-14-8-5-9-15-29)30-16-10-6-11-17-30/h5-6,8-11,14-21,27,31-33H,7,12-13,22-25H2,1-4H3/t27-,31-,32+,33-/m0/s1
InChIKey UQQUKUONPVVFPC-PVVDWXEZSA-N
Mol Weight 620.9 g/mol
Molecular Formula C35H44O6SSi
Exact Mass 620.262787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtqBVeZL0B8
Name (-)-(1R,2R,4S,6R)-1,2-cyclohexylidenedioxy-4-(tert-butyldiphenylsilyl)-6-(4'-methylphenylsulfonyloxy)cyclohexane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 620.262786840 u
Formula C35H44O6SSi
InChI InChI=1S/C35H44O6SSi/c1-26-18-20-28(21-19-26)42(36,37)40-32-25-27(24-31-33(32)39-35(38-31)22-12-7-13-23-35)41-43(34(2,3)4,29-14-8-5-9-15-29)30-16-10-6-11-17-30/h5-6,8-11,14-21,27,31-33H,7,12-13,22-25H2,1-4H3/t27-,31-,32+,33-/m0/s1
InChIKey UQQUKUONPVVFPC-PVVDWXEZSA-N
Molecular Weight 620.876 g/mol
SMILES [C@@]1(OS(C2=CC=C(C=C2)C)(=O)=O)([C@@]2([C@@](OC3(O2)CCCCC3)(C[C@@](C1)(O[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])[H])[H]