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1-HYDROXY-3-[METHYL-(2-PHENOXYETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 2Ye7UP4XssG
InChI InChI=1S/C12H21NO8P2/c1-13(9-10-21-11-5-3-2-4-6-11)8-7-12(14,22(15,16)17)23(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
InChIKey ZEQNCEOOAYAQEG-UHFFFAOYSA-N
Mol Weight 369.25 g/mol
Molecular Formula C12H21NO8P2
Exact Mass 369.074241 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQ4YY3Wyvf6
Name 1-HYDROXY-3-[METHYL-(2-PHENOXYETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17NO8P2
InChI InChI=1S/C12H21NO8P2/c1-13(9-10-21-11-5-3-2-4-6-11)8-7-12(14,22(15,16)17)23(18,19)20/h2-6,14H,7-10H2,1H3,(H2,15,16,17)(H2,18,19,20)
InChIKey ZEQNCEOOAYAQEG-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 UWLU53035