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(S)-Methyl 4'-(2-fluoro-1-(1-methylethylsulfonamido)-propan-2-yl)-biphenyl-4-carboxylate
SpectraBase Compound ID 9TIboCyo4HJ
InChI InChI=1S/C20H24FNO4S/c1-14(2)27(24,25)22-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(23)26-4/h5-12,14,22H,13H2,1-4H3/t20-/m1/s1
InChIKey UOTPMMCSMYYOHO-HXUWFJFHSA-N
Mol Weight 393.47 g/mol
Molecular Formula C20H24FNO4S
Exact Mass 393.141008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er4OIOb27OM
Name (S)-Methyl 4'-(2-fluoro-1-(1-methylethylsulfonamido)-propan-2-yl)-biphenyl-4-carboxylate
Appearance White solid
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Formula C20H24FNO4S
InChI InChI=1S/C20H24FNO4S/c1-14(2)27(24,25)22-13-20(3,21)18-11-9-16(10-12-18)15-5-7-17(8-6-15)19(23)26-4/h5-12,14,22H,13H2,1-4H3/t20-/m1/s1
InChIKey UOTPMMCSMYYOHO-HXUWFJFHSA-N
Instrument Name Hewlett-Packard tandem 5890A GC -5971
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.252
Molecular Weight 393.473 g/mol
Optical Rotation [a]D25 = +25.2 (c = 0.5, CHCl3)
Reported Formula C20H24O4FNS
SMILES N(C[C@](c1ccc(-c2ccc(C(OC)=O)cc2)cc1)(F)C)S(=O)(=O)C(C)C
SPLASH splash10-066r-2492000000-3399ad4324ea243f00ff
Source of Spectrum ARK-2014-253-23
Wiley ID 1843287