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SODIUM-4,4'-((1E,6E)-3,5-DIOXOHEPTA-1,6-DIENE-1,7-DIYL)-BIS-(2-METHOXY-4,1-PHENYLENE)-DIPHOSPHATE

View entire compound with spectra: 1 NMR

SODIUM-4,4'-((1E,6E)-3,5-DIOXOHEPTA-1,6-DIENE-1,7-DIYL)-BIS-(2-METHOXY-4,1-PHENYLENE)-DIPHOSPHATE
SpectraBase Compound ID 8BByvWrYw97
InChI InChI=1S/C21H22O12P2.4Na/c1-30-20-11-14(5-9-18(20)32-34(24,25)26)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)31-2)33-35(27,28)29;;;;/h3-12H,13H2,1-2H3,(H2,24,25,26)(H2,27,28,29);;;;/q;4*+1/p-4/b7-3+,8-4+;;;;
InChIKey IBEGQNDVQQBFQW-AKIPFEJSSA-J
Mol Weight 616.26960113 g/mol
Molecular Formula C21H18Na4O12P2
Exact Mass 615.986427 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bDr2epLOTt
Name SODIUM-4,4'-((1E,6E)-3,5-DIOXOHEPTA-1,6-DIENE-1,7-DIYL)-BIS-(2-METHOXY-4,1-PHENYLENE)-DIPHOSPHATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18Na4O12P2
InChI InChI=1S/C21H22O12P2.4Na/c1-30-20-11-14(5-9-18(20)32-34(24,25)26)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)31-2)33-35(27,28)29;;;;/h3-12H,13H2,1-2H3,(H2,24,25,26)(H2,27,28,29);;;;/q;4*+1/p-4/b7-3+,8-4+;;;;
InChIKey IBEGQNDVQQBFQW-AKIPFEJSSA-J
Literature Reference Author L.DING,S.MA,H.LOU,L.SUN,M.JI
Literature Reference Citation MOLECULES,20,21501(2015)
Literature Reference DOI 10.3390/molecules201219772
Solvent CD3OD
Source File Reference UWPA7142