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1-(PARA-NITROPHENYL)-2-HEXAFLUOROISOPROPYLIDENE-3,3-BIS(TRIFLUOROMETHYL)-4-(PARA-NITROPHENYL)IMINOAZETIDINE
SpectraBase Compound ID 4H6i3jrdTIh
InChI InChI=1S/C20H8F12N4O4/c21-17(22,23)13(18(24,25)26)14-16(19(27,28)29,20(30,31)32)15(33-9-1-3-11(4-2-9)35(37)38)34(14)10-5-7-12(8-6-10)36(39)40/h1-8H/b33-15-
InChIKey NSSIIFUUQSUYFC-UHIZKJEFSA-N
Mol Weight 596.29 g/mol
Molecular Formula C20H8F12N4O4
Exact Mass 596.035393 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTVjJ63WiAR
Name 1-(PARA-NITROPHENYL)-2-HEXAFLUOROISOPROPYLIDENE-3,3-BIS(TRIFLUOROMETHYL)-4-(PARA-NITROPHENYL)IMINOAZETIDINE
Comments SCALE INVERTED. 19.4, 23.6 WERE ASSIGNED TO CIS AND TRANS CF3 DUE TO;H-60 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H8F12N4O4
InChI InChI=1S/C20H8F12N4O4/c21-17(22,23)13(18(24,25)26)14-16(19(27,28)29,20(30,31)32)15(33-9-1-3-11(4-2-9)35(37)38)34(14)10-5-7-12(8-6-10)36(39)40/h1-8H/b33-15-
InChIKey NSSIIFUUQSUYFC-UHIZKJEFSA-N
Instrument Name SEE COMMENT
Literature Reference YU.V.ZEIFMAN, D.P.DEL'TSOVA, E.A.AVETISYAN, N.P.GAMBARYAN, I.L.KNUNYANTS (1973)Izv.Akad.Nauk SSSR(Russ. Lang.): N8, 1795-1800.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C4H8O2 dioxane