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(5-PHENETHYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
SpectraBase Compound ID 8GDJINqSGt1
InChI InChI=1S/C12H16N2O6P2S/c15-21(16,17)12(22(18,19)20)14-11-13-8-10(23-11)7-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey MELLDVPCTBWZRP-UHFFFAOYSA-N
Mol Weight 378.28 g/mol
Molecular Formula C12H16N2O6P2S
Exact Mass 378.020431 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Z3EgB4B4fb
Name (5-PHENETHYLTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
Compound Number 8H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O6P2S
InChI InChI=1S/C12H16N2O6P2S/c15-21(16,17)12(22(18,19)20)14-11-13-8-10(23-11)7-6-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey MELLDVPCTBWZRP-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 UWLU53078