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BIS-(TETRABUTYLAMMONIUM)-5-METHOXY-M-XYLYLENE-DIMETHYL-BISPHOSPHONATE

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BIS-(TETRABUTYLAMMONIUM)-5-METHOXY-M-XYLYLENE-DIMETHYL-BISPHOSPHONATE
SpectraBase Compound ID G4CqksoGXlk
InChI InChI=1S/2C16H36N.C11H18O7P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-11-5-9(7-19(12,13)17-2)4-10(6-11)8-20(14,15)18-3/h2*5-16H2,1-4H3;4-6H,7-8H2,1-3H3,(H,12,13)(H,14,15)/q2*+1;/p-2
InChIKey MOHHVHQDHBCCIS-UHFFFAOYSA-L
Mol Weight 807.1 g/mol
Molecular Formula C43H88N2O7P2
Exact Mass 806.606677 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID paOyI2LE4P
Name BIS-(TETRABUTYLAMMONIUM)-5-METHOXY-M-XYLYLENE-DIMETHYL-BISPHOSPHONATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H88N2O7P2
InChI InChI=1S/2C16H36N.C11H18O7P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-11-5-9(7-19(12,13)17-2)4-10(6-11)8-20(14,15)18-3/h2*5-16H2,1-4H3;4-6H,7-8H2,1-3H3,(H,12,13)(H,14,15)/q2*+1;/p-2
InChIKey MOHHVHQDHBCCIS-UHFFFAOYSA-L
Literature Reference Author S.RENSING,M.ARENDT,A.SPRINGER,T.GRAWE,T.SCHRADER
Literature Reference Citation J.ORG.CHEM.,66,5814(2001)
Literature Reference DOI 10.1021/jo0156161
Solvent CDCl3
Source File Reference UWVN24408