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(3S,Rs)-3-(tert-Butyldimethylsilyloxy)-1-[(4-methylphenyl)sulfinyl]-4-phenylbutan-2-one
SpectraBase Compound ID JOD4venDJu4
InChI InChI=1S/C23H32O3SSi/c1-18-12-14-20(15-13-18)27(25)17-21(24)22(16-19-10-8-7-9-11-19)26-28(5,6)23(2,3)4/h7-15,22H,16-17H2,1-6H3/t22-,27?/m0/s1
InChIKey LMCHEMKVLUWTQH-YMQLSTQVSA-N
Mol Weight 416.7 g/mol
Molecular Formula C23H32O3SSi
Exact Mass 416.184143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4AIY234yUX
Name (3S,Rs)-3-(tert-Butyldimethylsilyloxy)-1-[(4-methylphenyl)sulfinyl]-4-phenylbutan-2-one
Appearance Oil
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Formula C23H32O3SSi
InChI InChI=1S/C23H32O3SSi/c1-18-12-14-20(15-13-18)27(25)17-21(24)22(16-19-10-8-7-9-11-19)26-28(5,6)23(2,3)4/h7-15,22H,16-17H2,1-6H3/t22-,27?/m0/s1
InChIKey LMCHEMKVLUWTQH-YMQLSTQVSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.221
Molecular Weight 416.651 g/mol
Optical Rotation [a]D = +100.6 (c = 1.0, CHCl3)
SMILES c1ccc(cc1)C[C@@](C(C[S@+](c1ccc(cc1)C)[O-])=O)(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0670-4393000000-ce8bbe3ac6a394e227c0
Source of Spectrum ARK-2009-214-6
Wiley ID 1866611