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(S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-AMINO-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
SpectraBase Compound ID KBCJAmQqjPu
InChI InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1
InChIKey KEMUGFRERPPUHB-LBPRGKRZSA-N
Mol Weight 289.69 g/mol
Molecular Formula C13H11ClF3NO
Exact Mass 289.048126 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Im64u2ZnUTo
Name (S)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-AMINO-ALPHA-(TRIFLUOROMETHYL)-BENZENEMETHANOL
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClF3NO
InChI InChI=1S/C13H11ClF3NO/c14-9-3-4-11(18)10(7-9)12(19,13(15,16)17)6-5-8-1-2-8/h3-4,7-8,19H,1-2,18H2/t12-/m0/s1
InChIKey KEMUGFRERPPUHB-LBPRGKRZSA-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 UWMZ26150