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3-[3-(2-CYANO-4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-PROPANOIC-ACID
SpectraBase Compound ID 5FlPv9EO0eH
InChI InChI=1S/C12H8FN3O3/c13-8-1-2-9(7(5-8)6-14)12-15-10(19-16-12)3-4-11(17)18/h1-2,5H,3-4H2,(H,17,18)
InChIKey DXCBYFPDEHSSAZ-UHFFFAOYSA-N
Mol Weight 261.21 g/mol
Molecular Formula C12H8FN3O3
Exact Mass 261.054969 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HBbHhSzM26b
Name 3-[3-(2-CYANO-4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-PROPANOIC-ACID
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8FN3O3
InChI InChI=1S/C12H8FN3O3/c13-8-1-2-9(7(5-8)6-14)12-15-10(19-16-12)3-4-11(17)18/h1-2,5H,3-4H2,(H,17,18)
InChIKey DXCBYFPDEHSSAZ-UHFFFAOYSA-N
Literature Reference Author T.RUEHL,W.DEUTHER-CONRAD,S.FISCHER,R.GUENTHER,L.HENNIG,H.KRA UTSCHEID,P.BRUST
Literature Reference Citation ORG.MED.CHEM.LETT.,2,32(2012)
Literature Reference DOI 10.1186/2191-2858-2-32
Solvent CDCl3
Source File Reference UWLU976346