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[(1R,3aR,4S,7aR)-1-[(1S)-2-(benzenesulfonyl)-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethyl-silane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[(1R,3aR,4S,7aR)-1-[(1S)-2-(benzenesulfonyl)-1-methyl-ethyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-trimethyl-silane
SpectraBase Compound ID 45BZb4cfB7Y
InChI InChI=1S/C22H36O3SSi/c1-17(16-26(23,24)18-10-7-6-8-11-18)19-13-14-20-21(25-27(3,4)5)12-9-15-22(19,20)2/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3/t17-,19-,20+,21+,22-/m1/s1
InChIKey NUCMRXOKMAWIAR-MBMVPVEPSA-N
Mol Weight 408.7 g/mol
Molecular Formula C22H36O3SSi
Exact Mass 408.215443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45OtKLdCNr5
Name [(1R,3ar,4S,7ar)-1-[(1S)-2-(Benzenesulfonyl)-1-methyl-ethyl]-7A-methyl-1,2,3,3A,4,5,6,7-octahydroinden-4-yl]oxy-trimethyl-silane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.215442725 u
Formula C22H36O3SSi
InChI InChI=1S/C22H36O3SSi/c1-17(16-26(23,24)18-10-7-6-8-11-18)19-13-14-20-21(25-27(3,4)5)12-9-15-22(19,20)2/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3/t17-,19-,20+,21+,22-/m1/s1
InChIKey NUCMRXOKMAWIAR-MBMVPVEPSA-N
Molecular Weight 408.672 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)[C@]([C@@]1([C@@]2([C@@]([C@@](O[Si](C)(C)C)(CCC2)[H])([H])CC1)C)[H])(C)[H]