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DIBENZYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID 2QoQy5aEGmC
InChI InChI=1S/C33H25ClN2O5S/c34-24-15-16-25-28(18-24)42-33(35-25)36-30(27-17-23-13-7-8-14-26(23)41-27)29(31(37)39-19-21-9-3-1-4-10-21)32(38)40-20-22-11-5-2-6-12-22/h1-18,29-30H,19-20H2,(H,35,36)/t30-/m1/s1
InChIKey FJGQJMFXIRTVBP-SSEXGKCCSA-N
Mol Weight 597.1 g/mol
Molecular Formula C33H25ClN2O5S
Exact Mass 596.117271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tcA3yAT657
Name DIBENZYL-2-[BENZOFURAN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H25ClN2O5S
InChI InChI=1S/C33H25ClN2O5S/c34-24-15-16-25-28(18-24)42-33(35-25)36-30(27-17-23-13-7-8-14-26(23)41-27)29(31(37)39-19-21-9-3-1-4-10-21)32(38)40-20-22-11-5-2-6-12-22/h1-18,29-30H,19-20H2,(H,35,36)/t30-/m1/s1
InChIKey FJGQJMFXIRTVBP-SSEXGKCCSA-N
Literature Reference Author H.XIAO,P.ZHENG,C.TANG,Y.XIE,F.WU,J.SONG,J.ZHAO,Z.LI,M.LI
Literature Reference Citation MOLECULES,18,13623(2013)
Literature Reference DOI 10.3390/molecules181113623
Molecular Weight 597.085 g/mol
Solvent CDCl3
Source File Reference UWIR9864