John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Kg4hijLKJVP SpectraBase Spectrum ID=1kHB97061MG

(accessed ).
SMDCTBYGAKPKGX-UHFFFAOYSA-N
SpectraBase Compound ID Kg4hijLKJVP
InChI InChI=1S/C13H12FN3O3/c1-20-11-8-16-13(19)17(9-5-3-2-4-6-9)12(18)15(16)7-10(11)14/h2-6H,7-8H2,1H3
InChIKey SMDCTBYGAKPKGX-UHFFFAOYSA-N
Mol Weight 277.26 g/mol
Molecular Formula C13H12FN3O3
Exact Mass 277.08627 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kHB97061MG
Name SMDCTBYGAKPKGX-UHFFFAOYSA-N
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12FN3O3
InChI InChI=1S/C13H12FN3O3/c1-20-11-8-16-13(19)17(9-5-3-2-4-6-9)12(18)15(16)7-10(11)14/h2-6H,7-8H2,1H3
InChIKey SMDCTBYGAKPKGX-UHFFFAOYSA-N
Literature Reference Author T.B.PATRICK,J.ROGERS,K.GORRELL
Literature Reference Citation ORG.LETTERS,4,3155(2002)
Literature Reference DOI 10.1021/ol026512v
Solvent CDCl3
Source File Reference UWMZ25737
SpectraBase Batch ID 4tfEOff7YiY