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4-(3-TERT-BUTYLGUANIDIN-2-YL)-2,2,6,6-TETRAKIS(TRIFLUOROMETHYL)-1,3,5-DIOXAZINE
SpectraBase Compound ID 6CrOmMaKtwA
InChI InChI=1S/C12H12F12N4O2/c1-6(2,3)27-4(25)26-5-28-7(9(13,14)15,10(16,17)18)30-8(29-5,11(19,20)21)12(22,23)24/h1-3H3,(H3,25,26,27,28)
InChIKey LKTDRVOXNSCCMH-UHFFFAOYSA-N
Mol Weight 472.23 g/mol
Molecular Formula C12H12F12N4O2
Exact Mass 472.076864 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HolHWiDU7WO
Name 4-(3-TERT-BUTYLGUANIDIN-2-YL)-2,2,6,6-TETRAKIS(TRIFLUOROMETHYL)-1,3,5-DIOXAZINE
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Formula C12H12F12N4O2
InChI InChI=1S/C12H12F12N4O2/c1-6(2,3)27-4(25)26-5-28-7(9(13,14)15,10(16,17)18)30-8(29-5,11(19,20)21)12(22,23)24/h1-3H3,(H3,25,26,27,28)
InChIKey LKTDRVOXNSCCMH-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