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O,O-DIETHYL-1-{3-[2-METHYL-4,4-BIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLPROPYLPHOSPHONATE
SpectraBase Compound ID 9Quf464KdFa
InChI InChI=1S/C15H24F6N5O4P/c1-6-12(5,31(27,28-7-2)29-8-3)25-10(22)23-11-26-13(14(16,17)18,15(19,20)21)24-9(4)30-11/h6-8H2,1-5H3,(H3,22,23,25,26)
InChIKey RJKWKTGFXWJMAP-UHFFFAOYSA-N
Mol Weight 483.35 g/mol
Molecular Formula C15H24F6N5O4P
Exact Mass 483.14701 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 889wSWbilcu
Name O,O-DIETHYL-1-{3-[2-METHYL-4,4-BIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLPROPYLPHOSPHONATE
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Formula C15H24F6N5O4P
InChI InChI=1S/C15H24F6N5O4P/c1-6-12(5,31(27,28-7-2)29-8-3)25-10(22)23-11-26-13(14(16,17)18,15(19,20)21)24-9(4)30-11/h6-8H2,1-5H3,(H3,22,23,25,26)
InChIKey RJKWKTGFXWJMAP-UHFFFAOYSA-N
Instrument Name Bruker CXP-200
Literature Reference A.YU.AKSINENKO, V.B.SOKOLOV, O.V.KORENCHENKO, A.N.CHEKHLOV, E.A.FOKIN,I.V.MARTYNOV (1989) Izv.Akad.Nauk SSSR(Russ. Lang.): N12, 2815-2819.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d