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[[4-(2-[4-[(DIETHOXYPHOSPHORYL)-DIFLUOROMETHYL]-BENZYLOXY]-ETHOXYMETHYL)-PHENYL]-DIFLUOROMETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID D7XJGNzNsbX
InChI InChI=1S/C18H20F4O8P2.4N/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28;;;;/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28);;;;/q;4*+1/p-4
InChIKey KOEGKCZMBWNBTJ-UHFFFAOYSA-J
Mol Weight 554.287 g/mol
Molecular Formula C18H16F4N4O8P2
Exact Mass 554.03795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kStdadipDI
Name [[4-(2-[4-[(DIETHOXYPHOSPHORYL)-DIFLUOROMETHYL]-BENZYLOXY]-ETHOXYMETHYL)-PHENYL]-DIFLUOROMETHYL]-PHOSPHONIC-ACID
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16F4N4O8P2
InChI InChI=1S/C18H20F4O8P2.4N/c19-17(20,31(23,24)25)15-5-1-13(2-6-15)11-29-9-10-30-12-14-3-7-16(8-4-14)18(21,22)32(26,27)28;;;;/h1-8H,9-12H2,(H2,23,24,25)(H2,26,27,28);;;;/q;4*+1/p-4
InChIKey KOEGKCZMBWNBTJ-UHFFFAOYSA-J
Literature Reference Author Z.JIA,Q.YE,A.N.DINAUT,Q.WANG,D.WADDLETON,P.PAYETTE,C.RAMACHA NDRAN,B.KENNEDY,G.HU
Literature Reference Citation J.MED.CHEM.,44,4584(2001)
Literature Reference DOI 10.1021/jm010266w
Molecular Weight 554.288 g/mol
Sample ID 45226
Solvent CDCl3