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N-(tert-Butyldiphenylsilyl)-4-chlorostyryl methyl sulfoximine
SpectraBase Compound ID AfBA01ZzcMF
InChI InChI=1S/C25H28ClNOSSi/c1-25(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)27-29(4,28)20-19-21-15-17-22(26)18-16-21/h5-20H,1-4H3
InChIKey ZRVIJICTFDCNEJ-UHFFFAOYSA-N
Mol Weight 454.1 g/mol
Molecular Formula C25H28ClNOSSi
Exact Mass 453.13494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qv3NvVIiko
Name N-(tert-Butyldiphenylsilyl)-4-chlorostyryl methyl sulfoximine
Appearance Colourless oil
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Exact Mass 453.134939934 u
Formula C25H28ClNOSSi
InChI InChI=1S/C25H28ClNOSSi/c1-25(2,3)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)27-29(4,28)20-19-21-15-17-22(26)18-16-21/h5-20H,1-4H3
InChIKey ZRVIJICTFDCNEJ-UHFFFAOYSA-N
Instrument Name Varian MAT 212
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-3-33
Molecular Weight 454.103 g/mol
Optical Rotation [a]D = -0.55 (c = 0.1, CHCl3)
SMILES CS(=O)(C=CC1=CC=C(C=C1)Cl)=N[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-0002-0019000000-c1fe7caf558ac857a63c
Sample Comments 55% ee
Source of Spectrum BJO-3-SM11-9 (DOI: 10.1186/1860-5397-3-33)
Thin-Layer Chromatography 0.6 (pentane/EtOAc, 4:1)
Wiley ID 1908977