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2-Hydroxy-2,5-bis[(2-methyl-1,3-dithiolan-2-yl)methyl]-2,3-dihydrobenzo[H]chromen-4-one
SpectraBase Compound ID FhgW5R9aSou
InChI InChI=1S/C23H26O3S4/c1-21(27-7-8-28-21)12-16-11-15-5-3-4-6-17(15)20-19(16)18(24)13-23(25,26-20)14-22(2)29-9-10-30-22/h3-6,11,25H,7-10,12-14H2,1-2H3
InChIKey LXRULOGVGOYJPY-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C23H26O3S4
Exact Mass 478.076479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EU4Ofm74GPw
Name 2-HYDROXY-2,5-BIS-[(2-METHYL-[1,3]-DITHIOLAN-2-YL)-METHYL]-2,3-DIHYDROBENZO-[H]-CHROMEN-4-ONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O3S4
InChI InChI=1S/C23H26O3S4/c1-21(27-7-8-28-21)12-16-11-15-5-3-4-6-17(15)20-19(16)18(24)13-23(25,26-20)14-22(2)29-9-10-30-22/h3-6,11,25H,7-10,12-14H2,1-2H3
InChIKey LXRULOGVGOYJPY-UHFFFAOYSA-N
Literature Reference Author K.KROHN,A.VIDAL,H.T.TRAN-THIEN,U.FLOERKE,A.BECHTHOLD,G.DUJAR DIN,I.GREEN
Literature Reference Citation EUR.J.ORG.CHEM.,2010,3080(2010)
Literature Reference DOI 10.1002/ejoc.201000067
Molecular Weight 478.698 g/mol
Solvent CDCl3
Source File Reference UWLU85651