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2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
SpectraBase Compound ID CoAmmFWtRNv
InChI InChI=1S/C5H12O7P2.4Na/c6-5(4-14(10,11)12)2-1-3-13(7,8)9;;;;/h1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4
InChIKey JJNLGCCOPJKGEY-UHFFFAOYSA-J
Mol Weight 334.01860112 g/mol
Molecular Formula C5H8Na4O7P2
Exact Mass 333.933604 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FCXMIYhNG2t
Name 2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8Na4O7P2
InChI InChI=1S/C5H12O7P2.4Na/c6-5(4-14(10,11)12)2-1-3-13(7,8)9;;;;/h1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4
InChIKey JJNLGCCOPJKGEY-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 UWLU21895