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(4R,5R)-4-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethyl-5-(trifluoromethyl)oxasilolane
SpectraBase Compound ID CWiduqGcEDV
InChI InChI=1S/C14H17Cl2F3OSi/c1-13(14(17,18)19)10(8-21(2,3)20-13)6-9-4-5-11(15)12(16)7-9/h4-5,7,10H,6,8H2,1-3H3/t10-,13+/m0/s1
InChIKey IDTHNMBIJNEWLE-GXFFZTMASA-N
Mol Weight 357.28 g/mol
Molecular Formula C14H17Cl2F3OSi
Exact Mass 356.037782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2IoavcNDQ6
Name (4R,5R)-4-[(3,4-dichlorophenyl)methyl]-2,2,5-trimethyl-5-(trifluoromethyl)oxasilolane
Appearance Yellowish oil
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Exact Mass 356.037781590 u
Formula C14H17Cl2F3OSi
InChI InChI=1S/C14H17Cl2F3OSi/c1-13(14(17,18)19)10(8-21(2,3)20-13)6-9-4-5-11(15)12(16)7-9/h4-5,7,10H,6,8H2,1-3H3/t10-,13+/m0/s1
InChIKey IDTHNMBIJNEWLE-GXFFZTMASA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208861
Molecular Weight 357.275 g/mol
Optical Rotation [a]D20 = -12.0 (c = 0.50, CHCl3)
Quality 275
Reported Formula C14H17OF3Si(35)Cl2
SMILES C1(=C(C=C(C=C1)C[C@]1(C[Si](O[C@@]1(C)C(F)(F)F)(C)C)[H])Cl)Cl
SPLASH splash10-00fr-8902000000-567d4cece23f4b4b874f
Sample Comments dr = 13:1, 91% ee
Source of Spectrum ACI-61-SM10-5h (DOI: 10.1002/anie.202208861)
Wiley ID 1899468