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VKKZHLOGQVQFMX-UHFFFAOYSA-N
SpectraBase Compound ID 63GDUO1bcbM
InChI InChI=1S/2C10H4FN3O6S/c2*11-7-2-6(5-1-10(14(19)20)21-4-5)8(12(15)16)3-9(7)13(17)18/h2*1-4H
InChIKey VKKZHLOGQVQFMX-UHFFFAOYSA-N
Mol Weight 626.43 g/mol
Molecular Formula C20H8F2N6O12S2
Exact Mass 625.960968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgOOWnsBpbz
Name VKKZHLOGQVQFMX-UHFFFAOYSA-N
Compound Number IV-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H8F2N6O12S2
InChI InChI=1S/2C10H4FN3O6S/c2*11-7-2-6(5-1-10(14(19)20)21-4-5)8(12(15)16)3-9(7)13(17)18/h2*1-4H
InChIKey VKKZHLOGQVQFMX-UHFFFAOYSA-N
Literature Reference Author M.T.WANG,H.XU,Q.FENG,L.Z.WANG,S.H.WANG,Z.M.LI
Literature Reference Citation J.AGR.FOOD.CHEM.,57,7912(2009)
Literature Reference DOI 10.1021/jf902320e
Molecular Weight 626.433 g/mol
Sample ID 68131
Solvent CDCl3