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(3S)-O-(tert-butyldiphenylsilyl)-N-(p-tolylsulfonyl)piperidine-3-methanol
SpectraBase Compound ID EYoZK1xjUZ0
InChI InChI=1S/C29H37NO3SSi/c1-24-17-19-26(20-18-24)34(31,32)30-21-11-12-25(22-30)23-33-35(29(2,3)4,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-20,25H,11-12,21-23H2,1-4H3/t25-/m0/s1
InChIKey IHTFTWVTSPFLDI-VWLOTQADSA-N
Mol Weight 507.8 g/mol
Molecular Formula C29H37NO3SSi
Exact Mass 507.226342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zlrVW2fHS0
Name (3S)-o-(Tert-butyldiphenylsilyl)-N-(p-tolylsulfonyl)piperidine-3-methanol
Comments Computed using HOSE algorithm
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Exact Mass 507.226341761 u
Formula C29H37NO3SSi
InChI InChI=1S/C29H37NO3SSi/c1-24-17-19-26(20-18-24)34(31,32)30-21-11-12-25(22-30)23-33-35(29(2,3)4,27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-20,25H,11-12,21-23H2,1-4H3/t25-/m0/s1
InChIKey IHTFTWVTSPFLDI-VWLOTQADSA-N
Molecular Weight 507.764 g/mol
SMILES C1N(S(C2=CC=C(C=C2)C)(=O)=O)CCC[C@@]1(CO[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)[H]