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1-HYDROXY-4-(2-METHYL-1H-IMIDAZOL-1-YL)-BUTANE-1,1-DIYL-DIPHOSPHONIC-ACID
SpectraBase Compound ID 3CLxDLbWBbs
InChI InChI=1S/C8H16N2O7P2/c1-7-9-4-6-10(7)5-2-3-8(11,18(12,13)14)19(15,16)17/h4,6,11H,2-3,5H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey YXAWQGUNSFPARP-UHFFFAOYSA-N
Mol Weight 314.17 g/mol
Molecular Formula C8H16N2O7P2
Exact Mass 314.043275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIKqhdQ647n
Name 1-HYDROXY-4-(2-METHYL-1H-IMIDAZOL-1-YL)-BUTANE-1,1-DIYL-DIPHOSPHONIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O7P2
InChI InChI=1S/C8H16N2O7P2/c1-7-9-4-6-10(7)5-2-3-8(11,18(12,13)14)19(15,16)17/h4,6,11H,2-3,5H2,1H3,(H2,12,13,14)(H2,15,16,17)
InChIKey YXAWQGUNSFPARP-UHFFFAOYSA-N
Literature Reference Author L.QIU,W.CHENG,J.LIN,S.LUO,L.XUE,J.PAN
Literature Reference Citation MOLECULES,16,6165(2011)
Literature Reference DOI 10.3390/molecules16086165
Molecular Weight 310.140 g/mol
Sample ID 480
Solvent D2O