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N,N'-BIS-[BIS-(SODIUM-METHYL-PHOSPHATE)-ISOPHTHALYL]-TRANS,TRANS-MUCONATE
SpectraBase Compound ID 8uSlg3u23H8
InChI InChI=1S/C26H28N2O22P4.4Na/c1-43-51(35,36)47-23(31)15-9-16(24(32)48-52(37,38)44-2)12-19(11-15)27-21(29)7-5-6-8-22(30)28-20-13-17(25(33)49-53(39,40)45-3)10-18(14-20)26(34)50-54(41,42)46-4;;;;/h5-14H,1-4H3,(H,27,29)(H,28,30)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4/b7-5+,8-6+;;;;
InChIKey ONPGCGGDHDOVKL-IVVFPIAUSA-J
Mol Weight 932.32412512 g/mol
Molecular Formula C26H24N2Na4O22P4
Exact Mass 931.936196 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wB3DINGwtb
Name N,N'-BIS-[BIS-(SODIUM-METHYL-PHOSPHATE)-ISOPHTHALYL]-TRANS,TRANS-MUCONATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24N2Na4O22P4
InChI InChI=1S/C26H28N2O22P4.4Na/c1-43-51(35,36)47-23(31)15-9-16(24(32)48-52(37,38)44-2)12-19(11-15)27-21(29)7-5-6-8-22(30)28-20-13-17(25(33)49-53(39,40)45-3)10-18(14-20)26(34)50-54(41,42)46-4;;;;/h5-14H,1-4H3,(H,27,29)(H,28,30)(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4/b7-5+,8-6+;;;;
InChIKey ONPGCGGDHDOVKL-IVVFPIAUSA-J
Literature Reference Author N.GOURIANOV,R.KLUGER
Literature Reference Citation J.AM.CHEM.SOC.,125,10885(2003)
Literature Reference DOI 10.1021/ja036596i
Solvent CD3OD
Source File Reference UWLU52077