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3,3''-(4'-METHYLTHIO-BENZYLIDENE)-BIS-(4-HYDROXY-COUMARIN)
SpectraBase Compound ID 9q3pAoitMJV
InChI InChI=1S/C26H18O6S/c1-33-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)31-25(21)29)22-24(28)17-7-3-5-9-19(17)32-26(22)30/h2-13,20,27-28H,1H3
InChIKey LGKBOXOYKFGKJW-UHFFFAOYSA-N
Mol Weight 458.48 g/mol
Molecular Formula C26H18O6S
Exact Mass 458.082409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Lbv2iXx7y7
Name 3,3''-(4'-METHYLTHIO-BENZYLIDENE)-BIS-(4-HYDROXY-COUMARIN)
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18O6S
InChI InChI=1S/C26H18O6S/c1-33-15-12-10-14(11-13-15)20(21-23(27)16-6-2-4-8-18(16)31-25(21)29)22-24(28)17-7-3-5-9-19(17)32-26(22)30/h2-13,20,27-28H,1H3
InChIKey LGKBOXOYKFGKJW-UHFFFAOYSA-N
Literature Reference Author D.ZAVRSNIK,S.MURATOVIC,D.MAKUC,J.PLAVEC,M.CETINA,A.NAGL,E.D. CLERCQ
Literature Reference Citation MOLECULES,16,6023(2011)
Literature Reference DOI 10.3390/molecules16076023
Molecular Weight 458.485 g/mol
Sample ID 450
Solvent DMSO-D6