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DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
SpectraBase Compound ID EvITtEB0Bjv
InChI InChI=1S/C21H18N2O4S2/c1-26-19(24)17(20(25)27-2)18(16-11-12-7-3-5-9-14(12)28-16)23-21-22-13-8-4-6-10-15(13)29-21/h3-11,17-18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKey GBTDFMIVJQBXIV-SFHVURJKSA-N
Mol Weight 426.51 g/mol
Molecular Formula C21H18N2O4S2
Exact Mass 426.070799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pIux3fg4qv
Name DIMETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
Compound Number 5AR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4S2
InChI InChI=1S/C21H18N2O4S2/c1-26-19(24)17(20(25)27-2)18(16-11-12-7-3-5-9-14(12)28-16)23-21-22-13-8-4-6-10-15(13)29-21/h3-11,17-18H,1-2H3,(H,22,23)/t18-/m0/s1
InChIKey GBTDFMIVJQBXIV-SFHVURJKSA-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 426.505 g/mol
Solvent CDCl3
Source File Reference UWBT14820