John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7R4IZSRC7hV SpectraBase Spectrum ID=2aOLrzRohA

(accessed ).
(2R,A-2-ALPHA-R)-4-BENZYL-[1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-ETHOXY]-1,4-OXAZIN-3-ONE
SpectraBase Compound ID 7R4IZSRC7hV
InChI InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1
InChIKey KVPJNHLVRGUYGQ-YJYMSZOUSA-N
Mol Weight 447.38 g/mol
Molecular Formula C21H19F6NO3
Exact Mass 447.126913 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aOLrzRohA
Name (2R,A-2-ALPHA-R)-4-BENZYL-[1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-ETHOXY]-1,4-OXAZIN-3-ONE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F6NO3
InChI InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19+/m1/s1
InChIKey KVPJNHLVRGUYGQ-YJYMSZOUSA-N
Literature Reference Author K.M.J.BRANDS,J.F.PAYACK,J.D.ROSEN,T.D.NELSON,A.CANDELARIO,M. A.HUFFMAN,M.M.ZHAO,J
Literature Reference Citation J.AM.CHEM.SOC.,125,2129(2003)
Literature Reference DOI 10.1021/ja027458g
Solvent CDCl3
Source File Reference UWSI30645
SpectraBase Batch ID JJu48DijO1q