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O,O-DIETHYL-1-{3-(3-HYDROPERFLUORO-4-METHYL-3-AZAPENTAN-2-ON-4-YL)-2-[2,4,4-TRIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLETHYLPHOSPHONATE

View entire compound with spectra: 1 NMR

O,O-DIETHYL-1-{3-(3-HYDROPERFLUORO-4-METHYL-3-AZAPENTAN-2-ON-4-YL)-2-[2,4,4-TRIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLETHYLPHOSPHONATE
SpectraBase Compound ID HHRpT1bfhJo
InChI InChI=1S/C19H19F18N6O5P/c1-5-46-49(45,47-6-2)11(3,4)41-9(42-14(16(26,27)28,17(29,30)31)39-7(44)12(20,21)22)38-10-43-15(18(32,33)34,19(35,36)37)40-8(48-10)13(23,24)25/h5-6H2,1-4H3,(H,39,44)(H2,38,41,42,43)
InChIKey MBWHBPPZFGXUIN-UHFFFAOYSA-N
Mol Weight 784.34 g/mol
Molecular Formula C19H19F18N6O5P
Exact Mass 784.086712 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TmKluQ9a2f
Name O,O-DIETHYL-1-{3-(3-HYDROPERFLUORO-4-METHYL-3-AZAPENTAN-2-ON-4-YL)-2-[2,4,4-TRIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLETHYLPHOSPHONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H19F18N6O5P
InChI InChI=1S/C19H19F18N6O5P/c1-5-46-49(45,47-6-2)11(3,4)41-9(42-14(16(26,27)28,17(29,30)31)39-7(44)12(20,21)22)38-10-43-15(18(32,33)34,19(35,36)37)40-8(48-10)13(23,24)25/h5-6H2,1-4H3,(H,39,44)(H2,38,41,42,43)
InChIKey MBWHBPPZFGXUIN-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