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(5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(4-HYDROXY-3-METHOXYBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
SpectraBase Compound ID IYXf72USyVm
InChI InChI=1S/C23H24N2O5S2/c1-28-19-10-15(4-6-17(19)26)12-21-22(27)25(23(31)32-21)9-3-2-8-24-13-16-5-7-18-20(11-16)30-14-29-18/h4-7,10-12,24,26H,2-3,8-9,13-14H2,1H3/b21-12-
InChIKey OWVYXUKAPFKRKU-MTJSOVHGSA-N
Mol Weight 472.57 g/mol
Molecular Formula C23H24N2O5S2
Exact Mass 472.112664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Fh9ss2zUyw
Name (5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(4-HYDROXY-3-METHOXYBENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Compound Number 9K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H24N2O5S2
InChI InChI=1S/C23H24N2O5S2/c1-28-19-10-15(4-6-17(19)26)12-21-22(27)25(23(31)32-21)9-3-2-8-24-13-16-5-7-18-20(11-16)30-14-29-18/h4-7,10-12,24,26H,2-3,8-9,13-14H2,1H3/b21-12-
InChIKey OWVYXUKAPFKRKU-MTJSOVHGSA-N
Literature Reference Author C.D.DAGO,C.N.AMBEU,W.K.COULIBALY,Y.A.BEKRO,J.MAMYRBEKOVA,A.D EFONTAINE,B.BARATTE,
Literature Reference Citation MOLECULES,20,12412(2015)
Literature Reference DOI 10.3390/molecules200712412
Molecular Weight 472.574 g/mol
Solvent CDCl3:TFA=98:2
Source File Reference UWPA4064