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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQMeh376wSA
Name (-)-(1R,2R,4S,6R)-1,2-Cyclohexylidenedioxy-4-(tert-butyldiphenylsilyl)-6-(4'-methylphenylsulfonyloxy)cyclohexane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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(c2ccc(cc2)C)(=O)=O)([C@@]2([C@@](OC3(O2)CCCCC3)(C[C@@](C1)(O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0udi-0009000000-2106e9df8fda61e3c921
Source of Spectrum KC-0-949-11
Synonyms (3aR,4R,6R,7aS)-4-(tert-butyldiphenylsilyl)oxy-6-(4'-methylphenylsulfonyloxy)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]
Wiley ID 830354