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(2R)-2-diphenylphosphoryl-2-fluoro-2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
SpectraBase Compound ID AdhvvH5wdUA
InChI InChI=1S/C27H19F4O2P/c28-26(21-10-4-1-5-11-21,25(32)20-16-18-22(19-17-20)27(29,30)31)34(33,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H/t26-/m1/s1
InChIKey YNWVQVYOAFURKU-AREMUKBSSA-N
Mol Weight 482.41 g/mol
Molecular Formula C27H19F4O2P
Exact Mass 482.105879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCwfHfLZaKx
Name (2R)-2-diphenylphosphoryl-2-fluoro-2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
Appearance White solid
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Formula C27H19F4O2P
InChI InChI=1S/C27H19F4O2P/c28-26(21-10-4-1-5-11-21,25(32)20-16-18-22(19-17-20)27(29,30)31)34(33,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H/t26-/m1/s1
InChIKey YNWVQVYOAFURKU-AREMUKBSSA-N
Ionization Type EI
Molecular Weight 482.414 g/mol
Optical Rotation [a]D26.3 = -246 (c = 0.5, CHCl3)
Reported Formula C27H19F4O2P
SMILES [C@@](P(c1ccccc1)(c1ccccc1)=O)(C(c1ccc(cc1)C(F)(F)F)=O)(c1ccccc1)F
SPLASH splash10-0udi-0390100000-c0c408e769d74f602249
Sample Comments 96% ee
Source of Spectrum CN112142791A
Wiley ID 1877203