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BIOCHANIN-A;4'-METHOXY-5,7-DIHYDROXY-ISOFLAVOTHIONE
SpectraBase Compound ID H2oTYouo3tC
InChI InChI=1S/C16H12O4S/c1-19-11-4-2-9(3-5-11)12-8-20-14-7-10(17)6-13(18)15(14)16(12)21/h2-8,17-18H,1H3
InChIKey ZRGPOBXDJLJOMN-UHFFFAOYSA-N
Mol Weight 300.33 g/mol
Molecular Formula C16H12O4S
Exact Mass 300.04563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FC8nIThkFuH
Name BIOCHANIN-A;4'-METHOXY-5,7-DIHYDROXY-ISOFLAVOTHIONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O4S
InChI InChI=1S/C16H12O4S/c1-19-11-4-2-9(3-5-11)12-8-20-14-7-10(17)6-13(18)15(14)16(12)21/h2-8,17-18H,1H3
InChIKey ZRGPOBXDJLJOMN-UHFFFAOYSA-N
Literature Reference Author T.K.P.NGUYEN,K.P.P.NGUYEN,F.S.KAMOUNAH,W.ZHANG,P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,47,1043(2009)
Literature Reference DOI 10.1002/mrc.2510
Molecular Weight 300.329 g/mol
Solvent CDCl3
Source File Reference UWLU80262