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1-HYDROXY-3-[METHYL-(2-(4-CHLOROPHENOXY)-ETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID 7vZnAHHUOR9
InChI InChI=1S/C12H20ClNO8P2/c1-14(8-9-22-11-4-2-10(13)3-5-11)7-6-12(15,23(16,17)18)24(19,20)21/h2-5,15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey DCILPIGCJYXCSD-UHFFFAOYSA-N
Mol Weight 403.69 g/mol
Molecular Formula C12H20ClNO8P2
Exact Mass 403.035268 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INKArqVABg3
Name 1-HYDROXY-3-[METHYL-(2-(4-CHLOROPHENOXY)-ETHYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16ClNO8P2
InChI InChI=1S/C12H20ClNO8P2/c1-14(8-9-22-11-4-2-10(13)3-5-11)7-6-12(15,23(16,17)18)24(19,20)21/h2-5,15H,6-9H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey DCILPIGCJYXCSD-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 UWLU53036