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[(1R)-1-(4-bromophenyl)-1-(trifluoromethyl)propoxy]-(chloromethyl)-dimethyl-silane
SpectraBase Compound ID GSpDEBT3l4h
InChI InChI=1S/C13H17BrClF3OSi/c1-4-12(13(16,17)18,19-20(2,3)9-15)10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3/t12-/m1/s1
InChIKey VRPGWYICECHPGR-GFCCVEGCSA-N
Mol Weight 389.72 g/mol
Molecular Formula C13H17BrClF3OSi
Exact Mass 387.987267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBZTHrT6ckC
Name [(1R)-1-(4-bromophenyl)-1-(trifluoromethyl)propoxy]-(chloromethyl)-dimethyl-silane
Appearance Colorless oil
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Exact Mass 387.987266890 u
Formula C13H17BrClF3OSi
InChI InChI=1S/C13H17BrClF3OSi/c1-4-12(13(16,17)18,19-20(2,3)9-15)10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3/t12-/m1/s1
InChIKey VRPGWYICECHPGR-GFCCVEGCSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 389.715 g/mol
Optical Rotation [a]D20 = 5.2 (c = 0.82, CHCl3)
Quality 98
Reported Formula C13H17OF3Si(35)Cl(79)Br
SMILES C1=CC(=CC=C1Br)[C@@](O[Si](CCl)(C)C)(C(F)(F)F)CC
SPLASH splash10-03dr-2910000000-9afa2a9933a23e64b659
Sample Comments 94% ee
Source of Spectrum ACI-61-SM24-13m (DOI: 10.1002/anie.202208861)
Wiley ID 1899442