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(5-PROPYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
SpectraBase Compound ID EDp71x6NRjg
InChI InChI=1S/C7H14N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,7H,2-3H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKey TUWDIXVIOBTDEV-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C7H14N2O6P2S
Exact Mass 316.004781 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNKXrxc1bRs
Name (5-PROPYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10N2O6P2S
InChI InChI=1S/C7H14N2O6P2S/c1-2-3-5-4-8-6(18-5)9-7(16(10,11)12)17(13,14)15/h4,7H,2-3H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
InChIKey TUWDIXVIOBTDEV-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 UWLU53075