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DIETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
SpectraBase Compound ID 8GpRdyld4D9
InChI InChI=1S/C23H21ClN2O4S2/c1-3-29-21(27)19(22(28)30-4-2)20(18-11-13-7-5-6-8-16(13)31-18)26-23-25-15-10-9-14(24)12-17(15)32-23/h5-12,19-20H,3-4H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKey NEDDVDKHCRMSGI-FQEVSTJZSA-N
Mol Weight 489.0 g/mol
Molecular Formula C23H21ClN2O4S2
Exact Mass 488.063127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LR45S6pg9dN
Name DIETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-[(6-CHLOROBENZO-[D]-THIAZOL-2-YL)-AMINO]-METHYL]-MALONATE
Compound Number 5FR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21ClN2O4S2
InChI InChI=1S/C23H21ClN2O4S2/c1-3-29-21(27)19(22(28)30-4-2)20(18-11-13-7-5-6-8-16(13)31-18)26-23-25-15-10-9-14(24)12-17(15)32-23/h5-12,19-20H,3-4H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKey NEDDVDKHCRMSGI-FQEVSTJZSA-N
Literature Reference Author H.XIAO,F.WU,L.SHI,Z.CHEN,S.SU,C.TANG,H.WANG,Z.LI,M.LI,Q.SHI
Literature Reference Citation MOLECULES,19,3955(2014)
Literature Reference DOI 10.3390/molecules19043955
Molecular Weight 489.004 g/mol
Solvent CDCl3
Source File Reference UWBT14825