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7-BUTYLOXY-5-HYDROXY-FLAVOTHIONE

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7-BUTYLOXY-5-HYDROXY-FLAVOTHIONE
SpectraBase Compound ID JLHaCX9oNbh
InChI InChI=1S/C19H18O3S/c1-2-3-9-21-14-10-15(20)19-17(11-14)22-16(12-18(19)23)13-7-5-4-6-8-13/h4-8,10-12,20H,2-3,9H2,1H3
InChIKey MCIBSIGVGXDRAQ-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C19H18O3S
Exact Mass 326.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44qAxiTJG1n
Name 7-BUTYLOXY-5-HYDROXY-FLAVOTHIONE
Compound Number 5B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18O3S
InChI InChI=1S/C19H18O3S/c1-2-3-9-21-14-10-15(20)19-17(11-14)22-16(12-18(19)23)13-7-5-4-6-8-13/h4-8,10-12,20H,2-3,9H2,1H3
InChIKey MCIBSIGVGXDRAQ-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 326.410 g/mol
Solvent CD3Cl
Source File Reference UWLU80255