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(THIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
SpectraBase Compound ID ERg72OHfK7Q
InChI InChI=1S/C4H8N2O6P2S/c7-13(8,9)4(14(10,11)12)6-3-5-1-2-15-3/h1-2,4H,(H,5,6)(H2,7,8,9)(H2,10,11,12)
InChIKey KCMZCJPKBVPPJD-UHFFFAOYSA-N
Mol Weight 274.12 g/mol
Molecular Formula C4H8N2O6P2S
Exact Mass 273.957831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErA0sYNBjaG
Name (THIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H4N2O6P2S
InChI InChI=1S/C4H8N2O6P2S/c7-13(8,9)4(14(10,11)12)6-3-5-1-2-15-3/h1-2,4H,(H,5,6)(H2,7,8,9)(H2,10,11,12)
InChIKey KCMZCJPKBVPPJD-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
Molecular Weight 270.093 g/mol
Sample ID 53072
Solvent NAOD:D2O=1:20