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(S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-[(4-METHOXYPHENYL)-METHYLAMINO]-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
SpectraBase Compound ID 4Q93mHcBvKA
InChI InChI=1S/C21H19ClF3NO2/c1-28-17-7-4-15(5-8-17)13-26-19-9-6-16(22)12-18(19)20(27,21(23,24)25)11-10-14-2-3-14/h4-9,12,14,26-27H,2-3,13H2,1H3/t20-/m0/s1
InChIKey BXJWOBQJYQHISM-FQEVSTJZSA-N
Mol Weight 409.84 g/mol
Molecular Formula C21H19ClF3NO2
Exact Mass 409.105641 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5OxR0kWDN7
Name (S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-[(4-METHOXYPHENYL)-METHYLAMINO]-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19ClF3NO2
InChI InChI=1S/C21H19ClF3NO2/c1-28-17-7-4-15(5-8-17)13-26-19-9-6-16(22)12-18(19)20(27,21(23,24)25)11-10-14-2-3-14/h4-9,12,14,26-27H,2-3,13H2,1H3/t20-/m0/s1
InChIKey BXJWOBQJYQHISM-FQEVSTJZSA-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 UWMZ26147