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(1-HYDROXY-4-ACETYLAMINOBUTYLIDENE)-1,1-BISPHOSPHONIC-ACID-DISODIUM-SALT

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(1-HYDROXY-4-ACETYLAMINOBUTYLIDENE)-1,1-BISPHOSPHONIC-ACID-DISODIUM-SALT
SpectraBase Compound ID I64IclmLqkC
InChI InChI=1S/C6H15NO8P2.2Na/c1-5(8)7-4-2-3-6(9,16(10,11)12)17(13,14)15;;/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
InChIKey HUAQIWFOTBVSQY-UHFFFAOYSA-L
Mol Weight 335.09606256 g/mol
Molecular Formula C6H13NNa2O8P2
Exact Mass 334.991179 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1j1KPXAEvPT
Name (1-HYDROXY-4-ACETYLAMINOBUTYLIDENE)-1,1-BISPHOSPHONIC-ACID-DISODIUM-SALT
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H11NNa2O8P2
InChI InChI=1S/C6H15NO8P2.2Na/c1-5(8)7-4-2-3-6(9,16(10,11)12)17(13,14)15;;/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2
InChIKey HUAQIWFOTBVSQY-UHFFFAOYSA-L
Literature Reference Author P.A.TURHANEN,J.J.VEPSAELAEINEN
Literature Reference Citation BEIL.J.ORG.CHEM.,2,2,1(2006)
Literature Reference DOI 10.1186/1860-5397-2-2
Solvent D2O
Source File Reference UWBT10991