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3',6-DISODIUM-SULFONATE-BIOCHANIN-A

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3',6-DISODIUM-SULFONATE-BIOCHANIN-A
SpectraBase Compound ID 7QvQQxmYXzE
InChI InChI=1S/C16H12O11S2.2Na/c1-26-10-3-2-7(4-12(10)28(20,21)22)8-6-27-11-5-9(17)16(29(23,24)25)15(19)13(11)14(8)18;;/h2-6,17,19H,1H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChIKey WVZZANBECVKYHW-UHFFFAOYSA-L
Mol Weight 488.34453856 g/mol
Molecular Formula C16H10Na2O11S2
Exact Mass 487.945992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24WCxYivWXS
Name 3',6-DISODIUM-SULFONATE-BIOCHANIN-A
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H10Na2O11S2
InChI InChI=1S/C16H12O11S2.2Na/c1-26-10-3-2-7(4-12(10)28(20,21)22)8-6-27-11-5-9(17)16(29(23,24)25)15(19)13(11)14(8)18;;/h2-6,17,19H,1H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChIKey WVZZANBECVKYHW-UHFFFAOYSA-L
Literature Reference Author P.LI,X.SHI,Y.WEI,L.QIN,W.SUN,G.XU,T.XU,T.LIU
Literature Reference Citation MOLECULES,20,17016(2015)
Literature Reference DOI 10.3390/molecules200917016
Molecular Weight 488.348 g/mol
Solvent DMSO-D6
Source File Reference UWPA5144