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1-HYDROXY-3-(4-PHENYLPIPERAZIN-1-YL)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID IzkgbzgNLtD
InChI InChI=1S/C13H22N2O7P2/c16-13(23(17,18)19,24(20,21)22)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H2,17,18,19)(H2,20,21,22)
InChIKey ANHHJPGACGHMSH-UHFFFAOYSA-N
Mol Weight 380.27 g/mol
Molecular Formula C13H22N2O7P2
Exact Mass 380.090225 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oHp55vMfLQ
Name 1-HYDROXY-3-(4-PHENYLPIPERAZIN-1-YL)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 2N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O7P2
InChI InChI=1S/C13H22N2O7P2/c16-13(23(17,18)19,24(20,21)22)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H2,17,18,19)(H2,20,21,22)
InChIKey ANHHJPGACGHMSH-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 UWLU53020