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(4R,5R)-4-[(2-chlorophenyl)methyl]-2,2,5-trimethyl-5-(trifluoromethyl)oxasilolane
SpectraBase Compound ID HHvOf5x5NGJ
InChI InChI=1S/C14H18ClF3OSi/c1-13(14(16,17)18)11(9-20(2,3)19-13)8-10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3/t11-,13+/m0/s1
InChIKey KCNPJPFQYWYGIK-WCQYABFASA-N
Mol Weight 322.83 g/mol
Molecular Formula C14H18ClF3OSi
Exact Mass 322.076754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEvoEAj33TF
Name (4R,5R)-4-[(2-chlorophenyl)methyl]-2,2,5-trimethyl-5-(trifluoromethyl)oxasilolane
Appearance Yellowish oil
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Exact Mass 322.076753923 u
Formula C14H18ClF3OSi
InChI InChI=1S/C14H18ClF3OSi/c1-13(14(16,17)18)11(9-20(2,3)19-13)8-10-6-4-5-7-12(10)15/h4-7,11H,8-9H2,1-3H3/t11-,13+/m0/s1
InChIKey KCNPJPFQYWYGIK-WCQYABFASA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 322.830 g/mol
Optical Rotation [a]D20 = -9.8 (c = 0.45, CHCl3)
Quality 200
Reported Formula C14H18OF3Si(35)Cl
SMILES C1=CC=C(C(=C1)Cl)C[C@]1(C[Si](O[C@@]1(C)C(F)(F)F)(C)C)[H]
SPLASH splash10-00fr-5902000000-8020d304d439ce1884f5
Sample Comments dr = 10:1, 90% ee
Source of Spectrum ACI-61-SM10-5g (DOI: 10.1002/anie.202208861)
Wiley ID 1899467