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3-(ALPHA-BROMOHEXAFLUOROISOPROPYL)-5,5-BIS(TRIFLUOROMETHYL)-1,4,2-DIOXAZOLINE1
SpectraBase Compound ID CneQFuMOuAe
InChI InChI=1S/C7BrF12NO2/c8-2(4(9,10)11,5(12,13)14)1-21-23-3(22-1,6(15,16)17)7(18,19)20
InChIKey PKBHSGDWKZIDBA-UHFFFAOYSA-N
Mol Weight 437.97 g/mol
Molecular Formula C7BrF12NO2
Exact Mass 436.892079 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YNZRJNz0Rc
Name 3-(ALPHA-BROMOHEXAFLUOROISOPROPYL)-5,5-BIS(TRIFLUOROMETHYL)-1,4,2-DIOXAZOLINE1
Comments SCALE INVERTED;R-20A (PERKIN-ELMER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7BrF12NO2
InChI InChI=1S/C7BrF12NO2/c8-2(4(9,10)11,5(12,13)14)1-21-23-3(22-1,6(15,16)17)7(18,19)20
InChIKey PKBHSGDWKZIDBA-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.V.VASIL'EV, O.V.VERENIKIN, A.F.KOLOMIETS, G.A.SOKOL'SKY (1984)Zhurn.Org.Khim.(Russ. Lang.): v.20, N7, 1498-1502.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform