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2',3',4',5',6'-PENTAFLUOROBIPHEN-2-YLMETHYLMALONIC ESTER
SpectraBase Compound ID AQywEUcbPaJ
InChI InChI=1S/C20H17F5O4/c1-3-28-19(26)12(20(27)29-4-2)9-10-7-5-6-8-11(10)13-14(21)16(23)18(25)17(24)15(13)22/h5-8,12H,3-4,9H2,1-2H3
InChIKey NBADJYKHZTVTDJ-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C20H17F5O4
Exact Mass 416.1047 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aFWfZFHq8G
Name 2',3',4',5',6'-PENTAFLUOROBIPHEN-2-YLMETHYLMALONIC ESTER
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION).
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H17F5O4
InChI InChI=1S/C20H17F5O4/c1-3-28-19(26)12(20(27)29-4-2)9-10-7-5-6-8-11(10)13-14(21)16(23)18(25)17(24)15(13)22/h5-8,12H,3-4,9H2,1-2H3
InChIKey NBADJYKHZTVTDJ-UHFFFAOYSA-N
Instrument Name Varian A56/60A
Literature Reference V.M.VLASOV, T.D.PETROVA, G.G.YAKOBSON (1980) Izv.Sibir.Otdel.Akad.NaukSer.Khim.(Russ. Lang.): N5, 117-121.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl