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(2S,2'R)-1-(N-TRIFLUOROACETYL)-BENZYLAMINO-3-FLUORO-2-[[(4-METHYLPHENYL)-THIO]-[PHENYL]-METHYL]-PROPAN-2-OL
SpectraBase Compound ID 3C7plwuvoyX
InChI InChI=1S/C26H25F4NO2S/c1-19-12-14-22(15-13-19)34-23(21-10-6-3-7-11-21)25(33,17-27)18-31(24(32)26(28,29)30)16-20-8-4-2-5-9-20/h2-15,23,33H,16-18H2,1H3/t23-,25-/m1/s1
InChIKey ZRNGRPBOZHQKCF-ILBGXUMGSA-N
Mol Weight 491.54 g/mol
Molecular Formula C26H25F4NO2S
Exact Mass 491.154213 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bq10OGgVDoW
Name (2S,2'R)-1-(N-TRIFLUOROACETYL)-BENZYLAMINO-3-FLUORO-2-[[(4-METHYLPHENYL)-THIO]-[PHENYL]-METHYL]-PROPAN-2-OL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H25F4NO2S
InChI InChI=1S/C26H25F4NO2S/c1-19-12-14-22(15-13-19)34-23(21-10-6-3-7-11-21)25(33,17-27)18-31(24(32)26(28,29)30)16-20-8-4-2-5-9-20/h2-15,23,33H,16-18H2,1H3/t23-,25-/m1/s1
InChIKey ZRNGRPBOZHQKCF-ILBGXUMGSA-N
Literature Reference Author P.BRAVO,M.FRIGERIO,G.FRONZA,V.SOLOSHONOK,F.VIANI,G.CAVICCHIO ,C.FABRIZI,D.LAMBA
Literature Reference Citation CAN.J.CHEM.,72,1769(1994)
Literature Reference DOI 10.1139/v94-224
Solvent CDCl3
Source File Reference UWPS2129