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object
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_id
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HRopi9OVcVf
spectrumID
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HRopi9OVcVf
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analyticalTechnique
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19F NMR
analyticalTechniqueLongName
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19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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[(4-[4-[4-(DIFLUOROPHOSPHONOMETHYL)-BENZYLOXY]-PHENOXYMETHYL]-PHENYL)-DIFLUOROMETHYL]-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID 6BuciLsgBOO
InChI InChI=1S/C30H36F4O8P2/c1-5-39-43(35,40-6-2)29(31,32)25-13-9-23(10-14-25)21-37-27-17-19-28(20-18-27)38-22-24-11-15-26(16-12-24)30(33,34)44(36,41-7-3)42-8-4/h9-20H,5-8,21-22H2,1-4H3
InChIKey KSFZUYLBHLZCHK-UHFFFAOYSA-N
Mol Weight 662.6 g/mol
Molecular Formula C30H36F4O8P2
Exact Mass 662.182155 g/mol
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19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRopi9OVcVf
Name [(4-[4-[4-(DIFLUOROPHOSPHONOMETHYL)-BENZYLOXY]-PHENOXYMETHYL]-PHENYL)-DIFLUOROMETHYL]-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 18
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36F4O8P2
InChI InChI=1S/C30H36F4O8P2/c1-5-39-43(35,40-6-2)29(31,32)25-13-9-23(10-14-25)21-37-27-17-19-28(20-18-27)38-22-24-11-15-26(16-12-24)30(33,34)44(36,41-7-3)42-8-4/h9-20H,5-8,21-22H2,1-4H3
InChIKey KSFZUYLBHLZCHK-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
Solvent CDCl3
Source File Reference UWSI45228
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