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DIETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
SpectraBase Compound ID E1dfEzXz6Aq
InChI InChI=1S/C23H22N2O4S2/c1-3-28-21(26)19(22(27)29-4-2)20(18-13-14-9-5-7-11-16(14)30-18)25-23-24-15-10-6-8-12-17(15)31-23/h5-13,19-20H,3-4H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKey WOJQEOHGEPHPFT-FQEVSTJZSA-N
Mol Weight 454.56 g/mol
Molecular Formula C23H22N2O4S2
Exact Mass 454.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TJRAux2Tqx
Name DIETHYL-2-[BENZO-[B]-THIOPHEN-2-YL-(BENZO-[D]-THIAZOL-2-YL-AMINO)-METHYL]-MALONATE
Compound Number 5BR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22N2O4S2
InChI InChI=1S/C23H22N2O4S2/c1-3-28-21(26)19(22(27)29-4-2)20(18-13-14-9-5-7-11-16(14)30-18)25-23-24-15-10-6-8-12-17(15)31-23/h5-13,19-20H,3-4H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKey WOJQEOHGEPHPFT-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 454.559 g/mol
Solvent CDCl3
Source File Reference UWBT14821