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3-(1-MORPHOLINOCARBAMOYL-2,2,2-TRIFLUOROETHYL)-5,5-BIS(TRIFLUOROMETHYL)-1,4,2-DIOXAZOLINE
SpectraBase Compound ID LQAHgZ9IJEo
InChI InChI=1S/C11H9F9N2O4/c12-8(13,14)5(7(23)22-1-3-24-4-2-22)6-21-26-9(25-6,10(15,16)17)11(18,19)20/h5H,1-4H2
InChIKey QWFIRQABBNGTPY-UHFFFAOYSA-N
Mol Weight 404.19 g/mol
Molecular Formula C11H9F9N2O4
Exact Mass 404.04186 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFnizcpTJpJ
Name 3-(1-MORPHOLINOCARBAMOYL-2,2,2-TRIFLUOROETHYL)-5,5-BIS(TRIFLUOROMETHYL)-1,4,2-DIOXAZOLINE
Comments SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H9F9N2O4
InChI InChI=1S/C11H9F9N2O4/c12-8(13,14)5(7(23)22-1-3-24-4-2-22)6-21-26-9(25-6,10(15,16)17)11(18,19)20/h5H,1-4H2
InChIKey QWFIRQABBNGTPY-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.V.VASIL'EV, S.A.KHOKHLOVA, A.F.KOLOMIETS, G.A.SOKOL'SKY (1984)Zhurn.Org.Khim.(Russ. Lang.): v.20, N9, 1983-1991.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform