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6-[4-[Tert-butyl(dimethyl)silyl]oxyphenyl]-4-(4-methylphenyl)sulfonyl-hexan-2-one
SpectraBase Compound ID JwQW5Uw9e0D
InChI InChI=1S/C25H36O4SSi/c1-19-8-15-23(16-9-19)30(27,28)24(18-20(2)26)17-12-21-10-13-22(14-11-21)29-31(6,7)25(3,4)5/h8-11,13-16,24H,12,17-18H2,1-7H3
InChIKey BWSUUPIEJXHERK-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C25H36O4SSi
Exact Mass 460.210357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YbAq8tXaUx
Name 6-[4-[Tert-butyl(dimethyl)silyl]oxyphenyl]-4-(4-methylphenyl)sulfonyl-hexan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.210357344 u
Formula C25H36O4SSi
InChI InChI=1S/C25H36O4SSi/c1-19-8-15-23(16-9-19)30(27,28)24(18-20(2)26)17-12-21-10-13-22(14-11-21)29-31(6,7)25(3,4)5/h8-11,13-16,24H,12,17-18H2,1-7H3
InChIKey BWSUUPIEJXHERK-UHFFFAOYSA-N
Molecular Weight 460.704 g/mol
SMILES CC(CC(CCC=1C=CC(=CC1)O[Si](C)(C)C(C)(C)C)S(=O)(=O)C=1C=CC(=CC1)C)=O