John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=16dUFkMzTs0 SpectraBase Spectrum ID=4vADyw83V9l

(accessed ).
1,1,1-TRIFLUORO-3-(METHYL-3-NITROANILINO)-5-PHENYL-PENTAN-2-OL;MAJOR-ISOMER
SpectraBase Compound ID 16dUFkMzTs0
InChI InChI=1S/C18H19F3N2O3/c1-22(14-8-10-15(11-9-14)23(25)26)16(17(24)18(19,20)21)12-7-13-5-3-2-4-6-13/h2-6,8-11,16-17,24H,7,12H2,1H3
InChIKey ZSFOIRUUUNTJEO-UHFFFAOYSA-N
Mol Weight 368.36 g/mol
Molecular Formula C18H19F3N2O3
Exact Mass 368.134777 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vADyw83V9l
Name 1,1,1-TRIFLUORO-3-(METHYL-3-NITROANILINO)-5-PHENYL-PENTAN-2-OL;MAJOR-ISOMER
Compound Number 7E
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19F3N2O3
InChI InChI=1S/C18H19F3N2O3/c1-22(14-8-10-15(11-9-14)23(25)26)16(17(24)18(19,20)21)12-7-13-5-3-2-4-6-13/h2-6,8-11,16-17,24H,7,12H2,1H3
InChIKey ZSFOIRUUUNTJEO-UHFFFAOYSA-N
Literature Reference Author I.RODRIGUES,D.BONNET-DELPON,J.P.BEGUE
Literature Reference Citation J.ORG.CHEM.,66,2098(2001)
Literature Reference DOI 10.1021/jo005751y
Solvent CDCl3
Source File Reference UWLU26217
SpectraBase Batch ID C7fRCFZJE8g