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MDNRTMSHAKHZAG-UHFFFAOYSA-L
SpectraBase Compound ID 5oKdV55Dk2i
InChI InChI=1S/C20H42O9S2.2Na/c1-17(8-5-9-18(2)13-15-28-30(22,23)24)10-6-11-19(16-29-31(25,26)27)12-7-14-20(3,4)21;;/h17-19,21H,5-16H2,1-4H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey MDNRTMSHAKHZAG-UHFFFAOYSA-L
Mol Weight 534.63053856 g/mol
Molecular Formula C20H40Na2O9S2
Exact Mass 534.190914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9041VSDOBI
Name MDNRTMSHAKHZAG-UHFFFAOYSA-L
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H40Na2O9S2
InChI InChI=1S/C20H42O9S2.2Na/c1-17(8-5-9-18(2)13-15-28-30(22,23)24)10-6-11-19(16-29-31(25,26)27)12-7-14-20(3,4)21;;/h17-19,21H,5-16H2,1-4H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey MDNRTMSHAKHZAG-UHFFFAOYSA-L
Literature Reference Author C.IMPERATORE,A.AIELLO,F.D.ANIELLO,P.LUCIANO,R.VITALONE,R.MEL I,G.M.RASO,M.MENNA
Literature Reference Citation MOLECULES,17,12642(2012)
Literature Reference DOI 10.3390/molecules171112642
Molecular Weight 534.632 g/mol
Sample ID 1547
Solvent CD3OD