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(S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-[(3,4-DIMETHOXYPHENYL)-METHYLAMINO]-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
SpectraBase Compound ID 6OaitorkU2L
InChI InChI=1S/C22H21ClF3NO3/c1-29-19-8-5-15(11-20(19)30-2)13-27-18-7-6-16(23)12-17(18)21(28,22(24,25)26)10-9-14-3-4-14/h5-8,11-12,14,27-28H,3-4,13H2,1-2H3/t21-/m0/s1
InChIKey NTOWNZYEUZOMLP-NRFANRHFSA-N
Mol Weight 439.86 g/mol
Molecular Formula C22H21ClF3NO3
Exact Mass 439.116206 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iw4sFwxBQBk
Name (S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-[(3,4-DIMETHOXYPHENYL)-METHYLAMINO]-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21ClF3NO3
InChI InChI=1S/C22H21ClF3NO3/c1-29-19-8-5-15(11-20(19)30-2)13-27-18-7-6-16(23)12-17(18)21(28,22(24,25)26)10-9-14-3-4-14/h5-8,11-12,14,27-28H,3-4,13H2,1-2H3/t21-/m0/s1
InChIKey NTOWNZYEUZOMLP-NRFANRHFSA-N
Literature Reference Author M.E.PIERCE,R.L.PARSONS,L.A.RADESCA,Y.S.LO,S.SILVERMAN,J.R.MO ORE,Q.ISLAM,A.CHOUDH
Literature Reference Citation J.ORG.CHEM.,63,8536(1998)
Literature Reference DOI 10.1021/jo981170l
Solvent CDCl3
Source File Reference UWMZ26148