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(2S)-2-diphenylphosphoryl-2-fluoro-2-phenyl-1-(p-tolyl)ethanone
SpectraBase Compound ID 8ju3o9yui7n
InChI InChI=1S/C27H22FO2P/c1-21-17-19-22(20-18-21)26(29)27(28,23-11-5-2-6-12-23)31(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/t27-/m0/s1
InChIKey CPPBRUYOKKYNIA-MHZLTWQESA-N
Mol Weight 428.44 g/mol
Molecular Formula C27H22FO2P
Exact Mass 428.134145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14R3sCl4mfH
Name (2S)-2-diphenylphosphoryl-2-fluoro-2-phenyl-1-(p-tolyl)ethanone
Appearance White solid
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Formula C27H22FO2P
InChI InChI=1S/C27H22FO2P/c1-21-17-19-22(20-18-21)26(29)27(28,23-11-5-2-6-12-23)31(30,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3/t27-/m0/s1
InChIKey CPPBRUYOKKYNIA-MHZLTWQESA-N
Ionization Type EI
Molecular Weight 428.443 g/mol
Optical Rotation [a]D26.3 = 315 (c = 0.5, CHCl3)
Reported Formula C27H22FO2P
SMILES [C@](P(c1ccccc1)(c1ccccc1)=O)(C(c1ccc(cc1)C)=O)(c1ccccc1)F
SPLASH splash10-0v00-3980400000-7ceecb1797c350e5a34b
Sample Comments 95% ee
Source of Spectrum CN112142791A
Wiley ID 1877205