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1-HYDROXY-2-(PYRRAZOL-1-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 3z1psQk77uu
InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)4-7-3-1-2-6-7/h1-3,8H,4H2,(H2,9,10,11)(H2,12,13,14)
InChIKey FJCVQHCVOHJSMZ-UHFFFAOYSA-N
Mol Weight 272.09 g/mol
Molecular Formula C5H10N2O7P2
Exact Mass 271.996325 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39yKzy0KyEA
Name 1-HYDROXY-2-(PYRRAZOL-1-YL)-ETHYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H6N2O7P2
InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)4-7-3-1-2-6-7/h1-3,8H,4H2,(H2,9,10,11)(H2,12,13,14)
InChIKey FJCVQHCVOHJSMZ-UHFFFAOYSA-N
Literature Reference Author L.WIDLER,K.A.JAEGGI,M.GLATT,K.MUELLER,R.BACHMANN,M.BISPING,A .R.BORN,R.CORTESI,G.
Literature Reference Citation J.MED.CHEM.,45,3721(2002)
Literature Reference DOI 10.1021/jm020819i
Solvent NAOD:D2O=1:20
Source File Reference UWLU53064