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O,O-DIMETHYL-1-{2-[2,2,6,6-TETRAKIS(TRIFLUOROMETHYL)-1,3,5-DIOXAZIN-4-YL]GUANIDINO}-1-METHYLETHYLPHOSPHONATE
SpectraBase Compound ID 9jBKVimWuNT
InChI InChI=1S/C13H15F12N4O5P/c1-7(2,35(30,31-3)32-4)28-5(26)27-6-29-8(10(14,15)16,11(17,18)19)34-9(33-6,12(20,21)22)13(23,24)25/h1-4H3,(H3,26,27,28,29)
InChIKey LDSNQDJRNMYGOV-UHFFFAOYSA-N
Mol Weight 566.24 g/mol
Molecular Formula C13H15F12N4O5P
Exact Mass 566.058845 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ORljbobnY0
Name O,O-DIMETHYL-1-{2-[2,2,6,6-TETRAKIS(TRIFLUOROMETHYL)-1,3,5-DIOXAZIN-4-YL]GUANIDINO}-1-METHYLETHYLPHOSPHONATE
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Formula C13H15F12N4O5P
InChI InChI=1S/C13H15F12N4O5P/c1-7(2,35(30,31-3)32-4)28-5(26)27-6-29-8(10(14,15)16,11(17,18)19)34-9(33-6,12(20,21)22)13(23,24)25/h1-4H3,(H3,26,27,28,29)
InChIKey LDSNQDJRNMYGOV-UHFFFAOYSA-N
Instrument Name Bruker CXP-200
Literature Reference I.V.MARTYNOV, A.YU.AKSINENKO, A.N.CHEKHLOV, O.V.KORENCHENKO, I.N.TORGUN,V.B.SOKOLOV (1989) Zhurn.Obsch.Khim.(Russ. Lang.): v.59, N6, 1397-1400.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C3D6O acetone-d6