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

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BIS-(TETRABUTYLAMMONIUM)-5-NITRO-M-XYLYLENE-DIMETHYL-BISPHOSPHONATE
SpectraBase Compound ID 1Tm30U6uCS6
InChI InChI=1S/2C16H36N.C10H15NO8P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-18-20(14,15)6-8-3-9(7-21(16,17)19-2)5-10(4-8)11(12)13/h2*5-16H2,1-4H3;3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17)/q2*+1;/p-2
InChIKey MNYJNVHVKLCYQT-UHFFFAOYSA-L
Mol Weight 822.1 g/mol
Molecular Formula C42H85N3O8P2
Exact Mass 821.581191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHtUpuiXwgc
Name BIS-(TETRABUTYLAMMONIUM)-5-NITRO-M-XYLYLENE-DIMETHYL-BISPHOSPHONATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H85N3O8P2
InChI InChI=1S/2C16H36N.C10H15NO8P2/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-18-20(14,15)6-8-3-9(7-21(16,17)19-2)5-10(4-8)11(12)13/h2*5-16H2,1-4H3;3-5H,6-7H2,1-2H3,(H,14,15)(H,16,17)/q2*+1;/p-2
InChIKey MNYJNVHVKLCYQT-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
Molecular Weight 822.100 g/mol
Solvent CDCl3
Source File Reference UWVN24407