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(5Z)-3-[4-(2,3-DIHYDRO-BENZO-[1,4]-DIOXIN-6-YLMETHYLAMINO)-BUTYL]-5-(2,3-DIHYDRO-BENZO-[1,4]-DIOXIN-6-YLMETHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
SpectraBase Compound ID ImXkhyYXzr3
InChI InChI=1S/C25H26N2O5S2/c28-24-23(15-17-3-5-19-21(13-17)31-11-9-29-19)34-25(33)27(24)8-2-1-7-26-16-18-4-6-20-22(14-18)32-12-10-30-20/h3-6,13-15,26H,1-2,7-12,16H2/b23-15-
InChIKey BVNARVFKUDGWBV-HAHDFKILSA-N
Mol Weight 498.61 g/mol
Molecular Formula C25H26N2O5S2
Exact Mass 498.128314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdzYYiLlFTp
Name (5Z)-3-[4-(2,3-DIHYDRO-BENZO-[1,4]-DIOXIN-6-YLMETHYLAMINO)-BUTYL]-5-(2,3-DIHYDRO-BENZO-[1,4]-DIOXIN-6-YLMETHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
Compound Number 9M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26N2O5S2
InChI InChI=1S/C25H26N2O5S2/c28-24-23(15-17-3-5-19-21(13-17)31-11-9-29-19)34-25(33)27(24)8-2-1-7-26-16-18-4-6-20-22(14-18)32-12-10-30-20/h3-6,13-15,26H,1-2,7-12,16H2/b23-15-
InChIKey BVNARVFKUDGWBV-HAHDFKILSA-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 498.612 g/mol
Solvent CDCl3:TFA=98:2
Source File Reference UWPA4066