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7-DODECYLOXY-5-HYDROXY-FLAVOTHIONE
SpectraBase Compound ID GvhloS9TtzO
InChI InChI=1S/C27H34O3S/c1-2-3-4-5-6-7-8-9-10-14-17-29-22-18-23(28)27-25(19-22)30-24(20-26(27)31)21-15-12-11-13-16-21/h11-13,15-16,18-20,28H,2-10,14,17H2,1H3
InChIKey FDKPFRITLIDDFU-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C27H34O3S
Exact Mass 438.222866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9nJw8VBtAG
Name 7-DODECYLOXY-5-HYDROXY-FLAVOTHIONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O3S
InChI InChI=1S/C27H34O3S/c1-2-3-4-5-6-7-8-9-10-14-17-29-22-18-23(28)27-25(19-22)30-24(20-26(27)31)21-15-12-11-13-16-21/h11-13,15-16,18-20,28H,2-10,14,17H2,1H3
InChIKey FDKPFRITLIDDFU-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 438.625 g/mol
Solvent CD3Cl
Source File Reference UWLU80253