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7-BUTYLOXY-4',5-DIHYDROXY-FLAVOTHIONE
SpectraBase Compound ID 5tEiSp80aMs
InChI InChI=1S/C19H18O4S/c1-2-3-8-22-14-9-15(21)19-17(10-14)23-16(11-18(19)24)12-4-6-13(20)7-5-12/h4-7,9-11,20-21H,2-3,8H2,1H3
InChIKey IQOFPFFKVYYWAN-UHFFFAOYSA-N
Mol Weight 342.41 g/mol
Molecular Formula C19H18O4S
Exact Mass 342.09258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KBfljntQRqJ
Name 7-BUTYLOXY-4',5-DIHYDROXY-FLAVOTHIONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O4S
InChI InChI=1S/C19H18O4S/c1-2-3-8-22-14-9-15(21)19-17(10-14)23-16(11-18(19)24)12-4-6-13(20)7-5-12/h4-7,9-11,20-21H,2-3,8H2,1H3
InChIKey IQOFPFFKVYYWAN-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 342.410 g/mol
Solvent CDCl3
Source File Reference UWLU80258