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(5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(4-HYDROXY-BENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
SpectraBase Compound ID 3Y7BHKo4xqn
InChI InChI=1S/C22H22N2O4S2/c25-17-6-3-15(4-7-17)12-20-21(26)24(22(29)30-20)10-2-1-9-23-13-16-5-8-18-19(11-16)28-14-27-18/h3-8,11-12,23,25H,1-2,9-10,13-14H2/b20-12-
InChIKey NJGWBSGBGNXOHX-NDENLUEZSA-N
Mol Weight 442.55 g/mol
Molecular Formula C22H22N2O4S2
Exact Mass 442.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIep4dKDoSZ
Name (5Z)-3-[4-(1,3-BENZODIOXOL-5-YLMETHYLAMINO)-BUTYL]-5-(4-HYDROXY-BENZYLIDENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Compound Number 9J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O4S2
InChI InChI=1S/C22H22N2O4S2/c25-17-6-3-15(4-7-17)12-20-21(26)24(22(29)30-20)10-2-1-9-23-13-16-5-8-18-19(11-16)28-14-27-18/h3-8,11-12,23,25H,1-2,9-10,13-14H2/b20-12-
InChIKey NJGWBSGBGNXOHX-NDENLUEZSA-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 442.548 g/mol
Solvent CDCl3:TFA=98:2
Source File Reference UWPA4063