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1,1-DIFLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT

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1,1-DIFLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
SpectraBase Compound ID 8PhhhWkZZqE
InChI InChI=1S/C5H10F2O7P2.4Na/c6-5(7,16(12,13)14)4(8)2-1-3-15(9,10)11;;;;/h1-3H2,(H2,9,10,11)(H2,12,13,14);;;;/q;4*+1/p-4
InChIKey TVWDEGGOEZUEHC-UHFFFAOYSA-J
Mol Weight 369.99940745 g/mol
Molecular Formula C5H6F2Na4O7P2
Exact Mass 369.91476 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zhhiiELiiY
Name 1,1-DIFLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H6F2Na4O7P2
InChI InChI=1S/C5H10F2O7P2.4Na/c6-5(7,16(12,13)14)4(8)2-1-3-15(9,10)11;;;;/h1-3H2,(H2,9,10,11)(H2,12,13,14);;;;/q;4*+1/p-4
InChIKey TVWDEGGOEZUEHC-UHFFFAOYSA-J
Literature Reference Author S.LADAME,M.BARDET,J.PERIE,M.WILLSON
Literature Reference Citation BIOORG.MED.CHEM.,9,773(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00295-9
Solvent D2O
Source File Reference UWLU21897