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(5-BUTYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
SpectraBase Compound ID CXSytviC0fe
InChI InChI=1S/C8H16N2O6P2S/c1-2-3-4-6-5-9-7(19-6)10-8(17(11,12)13)18(14,15)16/h5,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey IPUSMGHNRFCXKP-UHFFFAOYSA-N
Mol Weight 330.23 g/mol
Molecular Formula C8H16N2O6P2S
Exact Mass 330.020431 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JI0WLboLuGq
Name (5-BUTYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O6P2S
InChI InChI=1S/C8H16N2O6P2S/c1-2-3-4-6-5-9-7(19-6)10-8(17(11,12)13)18(14,15)16/h5,8H,2-4H2,1H3,(H,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey IPUSMGHNRFCXKP-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 UWLU53076