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[(4-[3-[4-(DIFLUOROPHOSPHONOMETHYL)-BENZYLOXY]-PHENOXYMETHYL]-PHENYL)-DIFLUOROMETHYL]-PHOSPHONIC-ACID

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[(4-[3-[4-(DIFLUOROPHOSPHONOMETHYL)-BENZYLOXY]-PHENOXYMETHYL]-PHENYL)-DIFLUOROMETHYL]-PHOSPHONIC-ACID
SpectraBase Compound ID BzuOY5pc3OG
InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)
InChIKey SOHGLUNYGSGUIP-UHFFFAOYSA-N
Mol Weight 550.34 g/mol
Molecular Formula C22H20F4O8P2
Exact Mass 550.056954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VwLnE9S30h
Name [(4-[3-[4-(DIFLUOROPHOSPHONOMETHYL)-BENZYLOXY]-PHENOXYMETHYL]-PHENYL)-DIFLUOROMETHYL]-PHOSPHONIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16F4O8P2
InChI InChI=1S/C22H20F4O8P2/c23-21(24,35(27,28)29)17-8-4-15(5-9-17)13-33-19-2-1-3-20(12-19)34-14-16-6-10-18(11-7-16)22(25,26)36(30,31)32/h1-12H,13-14H2,(H2,27,28,29)(H2,30,31,32)
InChIKey SOHGLUNYGSGUIP-UHFFFAOYSA-N
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 546.305 g/mol
Sample ID 45232
Solvent D2O