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(1R,3S,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)sulfonyloxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 7t2y9AJRmek
InChI InChI=1S/C31H37NO8SSi/c1-22-28(39-41(36,37)25-18-16-24(17-19-25)32(34)35)20-23(30(33)38-5)21-29(22)40-42(31(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19,22-23,28-29H,20-21H2,1-5H3/t22-,23+,28-,29+/m1/s1
InChIKey PTDPOJRSHWPGHF-PWCMIJAKSA-N
Mol Weight 611.8 g/mol
Molecular Formula C31H37NO8SSi
Exact Mass 611.200915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C18KEMRIsDJ
Name (1R,3S,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)sulfonyloxy-1-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1R,3S,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-nosyloxy-cyclohexanecarboxylic acid methyl ester Methyl (1R,3S,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)sulfonyloxy-cyclohexane-1-carboxylate Methyl (1R,3S,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)sulfonyloxycyclohexane-1-carboxylate
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Formula C31H37NO8SSi
InChI InChI=1S/C31H37NO8SSi/c1-22-28(39-41(36,37)25-18-16-24(17-19-25)32(34)35)20-23(30(33)38-5)21-29(22)40-42(31(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19,22-23,28-29H,20-21H2,1-5H3/t22-,23+,28-,29+/m1/s1
InChIKey PTDPOJRSHWPGHF-PWCMIJAKSA-N
Molecular Weight 611.781 g/mol
SMILES [C@@]1(OS(c2ccc(N(=O)=O)cc2)(=O)=O)([C@]([C@@](O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C[C@](C1)(C(=O)OC)[H])[H])(C)[H])[H]
SPLASH splash10-0w33-9468010000-651dc03a99a8c256ca05
Source of Spectrum H-2005-4422-55
Wiley ID 1587844