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O,O-DIETHYL-1-{3-[2-ETHOXY-4,4-BIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLPROPYLPHOSPHONATE
SpectraBase Compound ID 3r8VZWQbz7H
InChI InChI=1S/C16H26F6N5O5P/c1-6-13(5,33(28,30-8-3)31-9-4)25-10(23)24-11-26-14(15(17,18)19,16(20,21)22)27-12(32-11)29-7-2/h6-9H2,1-5H3,(H3,23,24,25,26)
InChIKey METQZRMDKDUUNG-UHFFFAOYSA-N
Mol Weight 513.38 g/mol
Molecular Formula C16H26F6N5O5P
Exact Mass 513.157575 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ym44Hc5FW4
Name O,O-DIETHYL-1-{3-[2-ETHOXY-4,4-BIS(TRIFLUOROMETHYL)-1,3,5-OXADIAZIN-6-YL]GUANIDINO}-1-METHYLPROPYLPHOSPHONATE
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Formula C16H26F6N5O5P
InChI InChI=1S/C16H26F6N5O5P/c1-6-13(5,33(28,30-8-3)31-9-4)25-10(23)24-11-26-14(15(17,18)19,16(20,21)22)27-12(32-11)29-7-2/h6-9H2,1-5H3,(H3,23,24,25,26)
InChIKey METQZRMDKDUUNG-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 not reported
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d